Y020-7838 Screening compound: 6',6',8'-trimethyl-5',6'-dihydro-1''H-dispiro[cycloheptane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',2''-quinazoline]-2',4''(3''H)-dione

Y020-7838 Screening compound: 6',6',8'-trimethyl-5',6'-dihydro-1''H-dispiro[cycloheptane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',2''-quinazoline]-2',4''(3''H)-dione
Y020-7838 Screening compound: 6',6',8'-trimethyl-5',6'-dihydro-1''H-dispiro[cycloheptane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',2''-quinazoline]-2',4''(3''H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7838
6',6',8'-trimethyl-5',6'-dihydro-1''H-dispiro[cycloheptane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',2''-quinazoline]-2',4''(3''H)-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y020-7838

Molecular Formula

C27H31N3O2 (C27 H31 N3 O2)

Compound Name

6',6',8'-trimethyl-5',6'-dihydro-1''H-dispiro[cycloheptane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',2''-quinazoline]-2',4''(3''H)-dione

IUPAC name

7'7'10'-trimethyl-3''4''-dihydro-1''H-dispiro[cycloheptane-15'-[4]azatricyclo[6.3.1.0^{412}]dodecane-2'2''-quinazoline]-1'(11')8'(12')9'-triene-3'4''-dione

SMILES

CC(C)(CC12CCCCCC2)c2cc(C)cc(C3(Nc4c5cccc4)NC5=O)c2N1C3=O

InChI

InChI=1S/C27H31N3O2/c1-17-14-19-22-20(15-17)27(28-21-11-7-6-10-18(21)23(31)29-27)24(32)30(22)26(16-25(19,2)3)12-8-4-5-9-13-26/h6-7,10-11,14-15,28H,4-5,8-9,12-13,16H2,1-3H3,(H,29,31)/t27-/m0/s1

InChI Key

YENBZWPEFDLKBM-MHZLTWQESA-N

MDL Number (MFCD)

MFCD08087985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.364

Distribution Coefficient, logD

5.360

Water Solubility, LogSw

-5.18

Polar Surface Area

54.250

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

Y020-7838 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with Y020-7838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7838?
Check Price and Availability of Y020-7838, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y020-7838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7838
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y020-7838 available by request