4402-0087 Screening compound: 3-chloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide

4402-0087 Screening compound: 3-chloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide
4402-0087 Screening compound: 3-chloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4402-0087
3-chloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide

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

4402-0087

Molecular Formula

C23H19ClN2O2 (C23 H19 ClN2 O2)

Compound Name

3-chloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide

IUPAC name

3-chloro-N-[3-(57-dimethyl-13-benzoxazol-2-yl)phenyl]-4-methylbenzamide

SMILES

Cc(cc1C)cc2c1oc(-c1cccc(NC(c3cc(Cl)c(C)cc3)=O)c1)n2

InChI

InChI=1S/C23H19ClN2O2/c1-13-9-15(3)21-20(10-13)26-23(28-21)17-5-4-6-18(11-17)25-22(27)16-8-7-14(2)19(24)12-16/h4-12H,1-3H3,(H,25,27)

InChI Key

UBRLFJUWJXACDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03228314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.687

Distribution Coefficient, logD

6.687

Water Solubility, LogSw

-6.54

Polar Surface Area

40.373

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4402-0087 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4402-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4402-0087?
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What is the minimum amount of 4402-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4402-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4402-0087
  • 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 4402-0087 available by request