4412-2802 Screening compound: N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-3-methylbenzamide

4412-2802 Screening compound: N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-3-methylbenzamide
4412-2802 Screening compound: N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4412-2802
N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-3-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

4412-2802

Molecular Formula

C24H21ClN2O2 (C24 H21 ClN2 O2)

Compound Name

N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-3-methylbenzamide

IUPAC name

N-{2-chloro-5-[5-(propan-2-yl)-13-benzoxazol-2-yl]phenyl}-3-methylbenzamide

SMILES

CC(C)c(cc1)cc2c1oc(-c(cc1)cc(NC(c3cc(C)ccc3)=O)c1Cl)n2

InChI

InChI=1S/C24H21ClN2O2/c1-14(2)16-8-10-22-21(12-16)27-24(29-22)18-7-9-19(25)20(13-18)26-23(28)17-6-4-5-15(3)11-17/h4-14H,1-3H3,(H,26,28)

InChI Key

MWYQFGQNWRFXSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03059803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.591

Distribution Coefficient, logD

6.587

Water Solubility, LogSw

-6.39

Polar Surface Area

39.442

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4412-2802 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 4412-2802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4412-2802?
Check Price and Availability of 4412-2802, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4412-2802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4412-2802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4412-2802
  • 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 4412-2802 available by request