Y021-2877 Screening compound: 4',4',6',8'-tetramethyl-1,6-diphenyl-2-thioxo-2,3-dihydro-1H,4'H-spiro[pyrimidine-4,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one

Y021-2877 Screening compound: 4',4',6',8'-tetramethyl-1,6-diphenyl-2-thioxo-2,3-dihydro-1H,4'H-spiro[pyrimidine-4,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one
Y021-2877 Screening compound: 4',4',6',8'-tetramethyl-1,6-diphenyl-2-thioxo-2,3-dihydro-1H,4'H-spiro[pyrimidine-4,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2877
4',4',6',8'-tetramethyl-1,6-diphenyl-2-thioxo-2,3-dihydro-1H,4'H-spiro[pyrimidine-4,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one

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

Y021-2877

Molecular Formula

C30H27N3OS (C30 H27 N3 OS)

Compound Name

4',4',6',8'-tetramethyl-1,6-diphenyl-2-thioxo-2,3-dihydro-1H,4'H-spiro[pyrimidine-4,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one

IUPAC name

5'5'7'10'-tetramethyl-16-diphenyl-2-sulfanylidene-23-dihydro-1H-4'-azaspiro[pyrimidine-42'-tricyclo[6.3.1.0^{412}]dodecane]-1'(12')6'8'10'-tetraen-3'-one

SMILES

CC1(C)N(C(C2(C=C(c3ccccc3)N3c4ccccc4)NC3=S)=O)c3c2cc(C)cc3C(C)=C1

InChI

InChI=1S/C30H27N3OS/c1-19-15-23-20(2)17-29(3,4)33-26(23)24(16-19)30(27(33)34)18-25(21-11-7-5-8-12-21)32(28(35)31-30)22-13-9-6-10-14-22/h5-18H,1-4H3,(H,31,35)/t30-/m0/s1

InChI Key

XPBNWCJXTLCFBU-PMERELPUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.531

Distribution Coefficient, logD

6.531

Water Solubility, LogSw

-5.71

Polar Surface Area

30.285

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

Y021-2877 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y021-2877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2877?
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What is the minimum amount of Y021-2877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2877
  • 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 Y021-2877 available by request