7645-2052 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide

7645-2052 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide
7645-2052 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7645-2052
N-[3-(1,3-benzothiazol-2-yl)phenyl]-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

7645-2052

Molecular Formula

C22H12Cl2N2OS2 (C22 H12 Cl2 N2 OS2)

Compound Name

N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide

IUPAC name

N-[3-(13-benzothiazol-2-yl)phenyl]-36-dichloro-1-benzothiophene-2-carboxamide

SMILES

O=C(c(sc1c2ccc(Cl)c1)c2Cl)Nc1cc(-c2nc(cccc3)c3s2)ccc1

InChI

InChI=1S/C22H12Cl2N2OS2/c23-13-8-9-15-18(11-13)28-20(19(15)24)21(27)25-14-5-3-4-12(10-14)22-26-16-6-1-2-7-17(16)29-22/h1-11H,(H,25,27)

InChI Key

MOIDQJYUSGMQCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04158955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.750

Distribution Coefficient, logD

7.750

Water Solubility, LogSw

-6.85

Polar Surface Area

33.525

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

7645-2052 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Antibacterial Compounds Library (13827 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7645-2052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7645-2052?
Check Price and Availability of 7645-2052, 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 7645-2052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7645-2052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7645-2052
  • 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 7645-2052 available by request