7645-2084 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide

7645-2084 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide
7645-2084 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7645-2084
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3,6-dichloro-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

7645-2084

Molecular Formula

C23H14Cl2N2O2S (C23 H14 Cl2 N2 O2 S)

Compound Name

N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide

IUPAC name

N-[5-(13-benzoxazol-2-yl)-2-methylphenyl]-36-dichloro-1-benzothiophene-2-carboxamide

SMILES

Cc(ccc(-c1nc(cccc2)c2o1)c1)c1NC(c(sc1c2ccc(Cl)c1)c2Cl)=O

InChI

InChI=1S/C23H14Cl2N2O2S/c1-12-6-7-13(23-27-16-4-2-3-5-18(16)29-23)10-17(12)26-22(28)21-20(25)15-9-8-14(24)11-19(15)30-21/h2-11H,1H3,(H,26,28)

InChI Key

BQUSNIJYALTDDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05799631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.185

Distribution Coefficient, logD

7.185

Water Solubility, LogSw

-6.57

Polar Surface Area

40.189

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

7645-2084 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7645-2084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7645-2084?
Check Price and Availability of 7645-2084, 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 7645-2084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7645-2084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7645-2084
  • 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 7645-2084 available by request