D157-0086 Screening compound: 2-{[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanyl}-N-(2-methyl-5-nitrophenyl)acetamide

D157-0086 Screening compound: 2-{[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanyl}-N-(2-methyl-5-nitrophenyl)acetamide
D157-0086 Screening compound: 2-{[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanyl}-N-(2-methyl-5-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D157-0086
2-{[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanyl}-N-(2-methyl-5-nitrophenyl)acetamide

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

D157-0086

Molecular Formula

C24H19FN4O3S (C24 H19 FN4 O3 S)

Compound Name

2-{[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanyl}-N-(2-methyl-5-nitrophenyl)acetamide

IUPAC name

2-{[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanyl}-N-(2-methyl-5-nitrophenyl)acetamide

SMILES

Cc(ccc([N+]([O-])=O)c1)c1NC(CSc1nc2c(C)cccc2c(-c(cc2)ccc2F)n1)=O

InChI

InChI=1S/C24H19FN4O3S/c1-14-6-11-18(29(31)32)12-20(14)26-21(30)13-33-24-27-22-15(2)4-3-5-19(22)23(28-24)16-7-9-17(25)10-8-16/h3-12H,13H2,1-2H3,(H,26,30)

InChI Key

GNJRZOGBXDPVGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.493

Distribution Coefficient, logD

5.491

Water Solubility, LogSw

-5.73

Polar Surface Area

74.077

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D157-0086 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D157-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D157-0086?
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What is the minimum amount of D157-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D157-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D157-0086
  • 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 D157-0086 available by request