3646-2951 Screening compound: 3-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-1-benzothiophene-2-carboxamide

3646-2951 Screening compound: 3-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-1-benzothiophene-2-carboxamide
3646-2951 Screening compound: 3-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3646-2951
3-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-1-benzothiophene-2-carboxamide

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

3646-2951

Molecular Formula

C24H17ClN2O3S (C24 H17 ClN2 O3 S)

Compound Name

3-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-[3-(56-dimethyl-13-benzoxazol-2-yl)-4-hydroxyphenyl]-1-benzothiophene-2-carboxamide

SMILES

Cc(c(C)c1)cc2c1oc(-c(cc(cc1)NC(c(sc3c4cccc3)c4Cl)=O)c1O)n2

InChI

InChI=1S/C24H17ClN2O3S/c1-12-9-17-19(10-13(12)2)30-24(27-17)16-11-14(7-8-18(16)28)26-23(29)22-21(25)15-5-3-4-6-20(15)31-22/h3-11,28H,1-2H3,(H,26,29)

InChI Key

URACCCURZBPSGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02615215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.93

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

7.404

Distribution Coefficient, logD

7.404

Water Solubility, LogSw

-6.05

Polar Surface Area

57.435

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

3646-2951 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3646-2951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3646-2951?
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What is the minimum amount of 3646-2951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3646-2951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3646-2951
  • 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 3646-2951 available by request