C737-0456 Screening compound: N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide

C737-0456 Screening compound: N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
C737-0456 Screening compound: N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C737-0456
N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide

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

C737-0456

Molecular Formula

C20H16ClN3OS (C20 H16 ClN3 OS)

Compound Name

N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide

IUPAC name

N-(6-chloro-13-benzothiazol-2-yl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide

SMILES

O=C(C(Cc1ccccc1)n1cccc1)Nc1nc(ccc(Cl)c2)c2s1

InChI

InChI=1S/C20H16ClN3OS/c21-15-8-9-16-18(13-15)26-20(22-16)23-19(25)17(24-10-4-5-11-24)12-14-6-2-1-3-7-14/h1-11,13,17H,12H2,(H,22,23,25)/t17-/m0/s1

InChI Key

CMKBSZYXYXLWHQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14790175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.89

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.772

Distribution Coefficient, logD

5.766

Water Solubility, LogSw

-6.01

Polar Surface Area

36.614

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

C737-0456 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C737-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C737-0456?
Check Price and Availability of C737-0456, 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 C737-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C737-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C737-0456
  • 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 C737-0456 available by request