4478-3698 Screening compound: 2-benzamido-5-benzyl-4-methylthiophene-3-carboxamide

4478-3698 Screening compound: 2-benzamido-5-benzyl-4-methylthiophene-3-carboxamide
4478-3698 Screening compound: 2-benzamido-5-benzyl-4-methylthiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-3698
2-benzamido-5-benzyl-4-methylthiophene-3-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

4478-3698

Molecular Formula

C20H18N2O2S (C20 H18 N2 O2 S)

Compound Name

2-benzamido-5-benzyl-4-methylthiophene-3-carboxamide

IUPAC name

2-benzamido-5-benzyl-4-methylthiophene-3-carboxamide

SMILES

Cc1c(Cc2ccccc2)sc(NC(c2ccccc2)=O)c1C(N)=O

InChI

InChI=1S/C20H18N2O2S/c1-13-16(12-14-8-4-2-5-9-14)25-20(17(13)18(21)23)22-19(24)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H2,21,23)(H,22,24)

InChI Key

HUOVXWFZPLLAHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01191210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.929

Distribution Coefficient, logD

1.940

Water Solubility, LogSw

-3.35

Polar Surface Area

56.911

Acid Dissociation Constant (pKa)

6.46

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4478-3698 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 4478-3698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-3698?
Check Price and Availability of 4478-3698, 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 4478-3698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-3698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-3698
  • 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 4478-3698 available by request