3646-2193 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-3-chloro-1-benzothiophene-2-carboxamide

3646-2193 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-3-chloro-1-benzothiophene-2-carboxamide
3646-2193 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-3-chloro-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3646-2193
N-[5-(1H-1,3-benzodiazol-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

3646-2193

Molecular Formula

C23H16ClN3OS (C23 H16 ClN3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(-c1nc(cccc2)c2[nH]1)c1)c1NC(c(sc1c2cccc1)c2Cl)=O

InChI

InChI=1S/C23H16ClN3OS/c1-13-10-11-14(22-25-16-7-3-4-8-17(16)26-22)12-18(13)27-23(28)21-20(24)15-6-2-5-9-19(15)29-21/h2-12H,1H3,(H,25,26)(H,27,28)

InChI Key

UQSWCZZASGSYDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02615187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.323

Distribution Coefficient, logD

6.321

Water Solubility, LogSw

-6.45

Polar Surface Area

42.398

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

3646-2193 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 3646-2193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3646-2193?
Check Price and Availability of 3646-2193, 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 3646-2193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3646-2193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3646-2193
  • 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 3646-2193 available by request