D072-1414 Screening compound: 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazol-5-amine

D072-1414 Screening compound: 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazol-5-amine
D072-1414 Screening compound: 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-1414
4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazol-5-amine

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

D072-1414

Molecular Formula

C21H16ClN3O3S (C21 H16 ClN3 O3 S)

Compound Name

4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazol-5-amine

IUPAC name

4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-[(pyridin-3-yl)methyl]-13-oxazol-5-amine

SMILES

O=S(c1c(NCc2cnccc2)oc(-c(cccc2)c2Cl)n1)(c1ccccc1)=O

InChI

InChI=1S/C21H16ClN3O3S/c22-18-11-5-4-10-17(18)19-25-21(29(26,27)16-8-2-1-3-9-16)20(28-19)24-14-15-7-6-12-23-13-15/h1-13,24H,14H2

InChI Key

QZBBSFPZMAVWGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02724180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.632

Distribution Coefficient, logD

3.618

Water Solubility, LogSw

-4.11

Polar Surface Area

67.520

Acid Dissociation Constant (pKa)

16.74

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

D072-1414 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D072-1414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-1414?
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What is the minimum amount of D072-1414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-1414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-1414
  • 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 D072-1414 available by request