3031-0013 Screening compound: 2-chloro-N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

3031-0013 Screening compound: 2-chloro-N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
3031-0013 Screening compound: 2-chloro-N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3031-0013
2-chloro-N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

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

3031-0013

Molecular Formula

C21H15ClN2O3 (C21 H15 ClN2 O3)

Compound Name

2-chloro-N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

IUPAC name

2-chloro-N-[3-hydroxy-4-(5-methyl-13-benzoxazol-2-yl)phenyl]benzamide

SMILES

Cc(cc1)cc2c1oc(-c(ccc(NC(c(cccc1)c1Cl)=O)c1)c1O)n2

InChI

InChI=1S/C21H15ClN2O3/c1-12-6-9-19-17(10-12)24-21(27-19)15-8-7-13(11-18(15)25)23-20(26)14-4-2-3-5-16(14)22/h2-11,25H,1H3,(H,23,26)

InChI Key

GXAPLPOCTOGSMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01783202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.259

Distribution Coefficient, logD

5.251

Water Solubility, LogSw

-5.24

Polar Surface Area

56.688

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3031-0013 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3031-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3031-0013?
Check Price and Availability of 3031-0013, 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 3031-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3031-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3031-0013
  • 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 3031-0013 available by request