3646-2591 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-1-benzothiophene-2-carboxamide

3646-2591 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-1-benzothiophene-2-carboxamide
3646-2591 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3646-2591
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-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

3646-2591

Molecular Formula

C23H15ClN2OS2 (C23 H15 ClN2 OS2)

Compound Name

N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-1-benzothiophene-2-carboxamide

IUPAC name

N-[5-(13-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-1-benzothiophene-2-carboxamide

SMILES

Cc(ccc(-c1nc(cccc2)c2s1)c1)c1NC(c(sc1c2cccc1)c2Cl)=O

InChI

InChI=1S/C23H15ClN2OS2/c1-13-10-11-14(23-26-16-7-3-5-9-19(16)29-23)12-17(13)25-22(27)21-20(24)15-6-2-4-8-18(15)28-21/h2-12H,1H3,(H,25,27)

InChI Key

LBDRRTWMYKOWRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02615202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.97

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

6.957

Distribution Coefficient, logD

6.957

Water Solubility, LogSw

-6.61

Polar Surface Area

32.828

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

3646-2591 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3646-2591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3646-2591?
Check Price and Availability of 3646-2591, 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 3646-2591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3646-2591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3646-2591
  • 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 3646-2591 available by request