4469-0653 Screening compound: N-(3-{2-[(4-nitrophenyl)amino]-1,3-thiazol-4-yl}phenyl)benzamide

4469-0653 Screening compound: N-(3-{2-[(4-nitrophenyl)amino]-1,3-thiazol-4-yl}phenyl)benzamide
4469-0653 Screening compound: N-(3-{2-[(4-nitrophenyl)amino]-1,3-thiazol-4-yl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4469-0653
N-(3-{2-[(4-nitrophenyl)amino]-1,3-thiazol-4-yl}phenyl)benzamide

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

4469-0653

Molecular Formula

C22H16N4O3S (C22 H16 N4 O3 S)

Compound Name

N-(3-{2-[(4-nitrophenyl)amino]-1,3-thiazol-4-yl}phenyl)benzamide

IUPAC name

N-(3-{2-[(4-nitrophenyl)amino]-13-thiazol-4-yl}phenyl)benzamide

SMILES

[O-][N+](c(cc1)ccc1Nc1nc(-c2cc(NC(c3ccccc3)=O)ccc2)cs1)=O

InChI

InChI=1S/C22H16N4O3S/c27-21(15-5-2-1-3-6-15)23-18-8-4-7-16(13-18)20-14-30-22(25-20)24-17-9-11-19(12-10-17)26(28)29/h1-14H,(H,23,27)(H,24,25)

InChI Key

NSYAHTUNBHIEQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.115

Distribution Coefficient, logD

6.115

Water Solubility, LogSw

-6.03

Polar Surface Area

75.398

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4469-0653 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4469-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4469-0653?
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What is the minimum amount of 4469-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4469-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4469-0653
  • 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 4469-0653 available by request