Y020-2252 Screening compound: ethyl 2-[11-(2-furyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetate

Y020-2252 Screening compound: ethyl 2-[11-(2-furyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetate
Y020-2252 Screening compound: ethyl 2-[11-(2-furyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-2252
ethyl 2-[11-(2-furyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetate

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

Y020-2252

Molecular Formula

C23H26N2O4 (C23 H26 N2 O4)

Compound Name

ethyl 2-[11-(2-furyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetate

IUPAC name

ethyl 2-[10-(furan-2-yl)-1414-dimethyl-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-9-yl]acetate

SMILES

CCOC(CN(C1c2ccco2)c(cccc2)c2NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C23H26N2O4/c1-4-28-20(27)14-25-17-9-6-5-8-15(17)24-16-12-23(2,3)13-18(26)21(16)22(25)19-10-7-11-29-19/h5-11,22,24H,4,12-14H2,1-3H3/t22-/m0/s1

InChI Key

HMYMMZYITKPIFN-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD07642540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.073

Distribution Coefficient, logD

4.040

Water Solubility, LogSw

-4.07

Polar Surface Area

55.589

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

Y020-2252 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with Y020-2252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-2252?
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What is the minimum amount of Y020-2252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-2252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-2252
  • 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 Y020-2252 available by request