3215-0004 Screening compound: 4-chloro-N-{1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-2-phenylethyl}benzamide

3215-0004 Screening compound: 4-chloro-N-{1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-2-phenylethyl}benzamide
3215-0004 Screening compound: 4-chloro-N-{1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-2-phenylethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3215-0004
4-chloro-N-{1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-2-phenylethyl}benzamide

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

3215-0004

Molecular Formula

C24H20ClN3O2S (C24 H20 ClN3 O2 S)

Compound Name

4-chloro-N-{1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-2-phenylethyl}benzamide

IUPAC name

4-chloro-N-{1-[(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-2-phenylethyl}benzamide

SMILES

N#Cc1c(NC(C(c2ccccc2)=O)NC(c(cc2)ccc2Cl)=O)sc2c1CCCC2

InChI

InChI=1S/C24H20ClN3O2S/c25-17-12-10-16(11-13-17)23(30)27-22(21(29)15-6-2-1-3-7-15)28-24-19(14-26)18-8-4-5-9-20(18)31-24/h1-3,6-7,10-13,22,28H,4-5,8-9H2,(H,27,30)/t22-/m0/s1

InChI Key

JGVNLFXVTHMFCW-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01458250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.855

Distribution Coefficient, logD

4.853

Water Solubility, LogSw

-5.26

Polar Surface Area

63.688

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

3215-0004 in Drug Discovery

Included in Screening Libraries

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

Proline Kinase Library (2105 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3215-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3215-0004?
Check Price and Availability of 3215-0004, 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 3215-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3215-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3215-0004
  • 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 3215-0004 available by request