8510-0280 Screening compound: 5-bromo-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide

8510-0280 Screening compound: 5-bromo-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
8510-0280 Screening compound: 5-bromo-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8510-0280
5-bromo-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide

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

8510-0280

Molecular Formula

C22H16BrClN2O3 (C22 H16 BrClN2 O3)

Compound Name

5-bromo-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide

IUPAC name

5-bromo-N-[2-chloro-5-(6-methyl-13-benzoxazol-2-yl)phenyl]-2-methoxybenzamide

SMILES

Cc(cc1)cc2c1nc(-c(cc1)cc(NC(c(cc(cc3)Br)c3OC)=O)c1Cl)o2

InChI

InChI=1S/C22H16BrClN2O3/c1-12-3-7-17-20(9-12)29-22(26-17)13-4-6-16(24)18(10-13)25-21(27)15-11-14(23)5-8-19(15)28-2/h3-11H,1-2H3,(H,25,27)

InChI Key

UAXNOVJAPNONKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06627845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.310

Distribution Coefficient, logD

6.166

Water Solubility, LogSw

-6.19

Polar Surface Area

47.072

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8510-0280 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 8510-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8510-0280?
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What is the minimum amount of 8510-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8510-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8510-0280
  • 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 8510-0280 available by request