8290-03033 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide

8290-03033 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide
8290-03033 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8290-03033
N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-5-chloro-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

8290-03033

Molecular Formula

C22H18ClN3O2 (C22 H18 ClN3 O2)

Compound Name

N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide

IUPAC name

N-[5-(1H-13-benzodiazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide

SMILES

Cc(ccc(-c1nc(cccc2)c2[nH]1)c1)c1NC(c(cc(cc1)Cl)c1OC)=O

InChI

InChI=1S/C22H18ClN3O2/c1-13-7-8-14(21-24-17-5-3-4-6-18(17)25-21)11-19(13)26-22(27)16-12-15(23)9-10-20(16)28-2/h3-12H,1-2H3,(H,24,25)(H,26,27)

InChI Key

YZXXOEYMSAMYLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.336

Distribution Coefficient, logD

5.330

Water Solubility, LogSw

-5.88

Polar Surface Area

49.282

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8290-03033 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 8290-03033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8290-03033?
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What is the minimum amount of 8290-03033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8290-03033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8290-03033
  • 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 8290-03033 available by request