2513-3821 Screening compound: 3-chloro-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

2513-3821 Screening compound: 3-chloro-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
2513-3821 Screening compound: 3-chloro-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-3821
3-chloro-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-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

2513-3821

Molecular Formula

C24H15ClN2O2S2 (C24 H15 ClN2 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(sc1c2cccc1)c2Cl)Nc1nc(-c(cc2)ccc2Oc2ccccc2)cs1

InChI

InChI=1S/C24H15ClN2O2S2/c25-21-18-8-4-5-9-20(18)31-22(21)23(28)27-24-26-19(14-30-24)15-10-12-17(13-11-15)29-16-6-2-1-3-7-16/h1-14H,(H,26,27,28)

InChI Key

DNQNNWOUCMKJAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.979

Distribution Coefficient, logD

7.978

Water Solubility, LogSw

-6.76

Polar Surface Area

40.599

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2513-3821 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2513-3821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-3821?
Check Price and Availability of 2513-3821, 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 2513-3821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-3821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-3821
  • 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 2513-3821 available by request