C301-6250 Screening compound: 3-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-propyl-1-benzothiophene-2-carboxamide

C301-6250 Screening compound: 3-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-propyl-1-benzothiophene-2-carboxamide
C301-6250 Screening compound: 3-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-propyl-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6250
3-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-propyl-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

C301-6250

Molecular Formula

C22H19ClN2OS2 (C22 H19 ClN2 OS2)

Compound Name

3-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-propyl-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-[4-(4-methylphenyl)-13-thiazol-2-yl]-N-propyl-1-benzothiophene-2-carboxamide

SMILES

CCCN(C(c(sc1c2cccc1)c2Cl)=O)c1nc(-c2ccc(C)cc2)cs1

InChI

InChI=1S/C22H19ClN2OS2/c1-3-12-25(21(26)20-19(23)16-6-4-5-7-18(16)28-20)22-24-17(13-27-22)15-10-8-14(2)9-11-15/h4-11,13H,3,12H2,1-2H3

InChI Key

IRGWJYYISZUJQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.99

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.762

Distribution Coefficient, logD

7.762

Water Solubility, LogSw

-6.44

Polar Surface Area

26.135

Acid Dissociation Constant (pKa)

24.34

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C301-6250 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C301-6250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6250?
Check Price and Availability of C301-6250, 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 C301-6250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6250
  • 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 C301-6250 available by request