C908-0040 Screening compound: methyl 3-(3,4-dimethoxybenzamido)-5-phenylthiophene-2-carboxylate

C908-0040 Screening compound: methyl 3-(3,4-dimethoxybenzamido)-5-phenylthiophene-2-carboxylate
C908-0040 Screening compound: methyl 3-(3,4-dimethoxybenzamido)-5-phenylthiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C908-0040
methyl 3-(3,4-dimethoxybenzamido)-5-phenylthiophene-2-carboxylate

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

C908-0040

Molecular Formula

C21H19NO5S (C21 H19 NO5 S)

Compound Name

methyl 3-(3,4-dimethoxybenzamido)-5-phenylthiophene-2-carboxylate

IUPAC name

methyl 3-(34-dimethoxybenzamido)-5-phenylthiophene-2-carboxylate

SMILES

COC(c(sc(-c1ccccc1)c1)c1NC(c(cc1)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C21H19NO5S/c1-25-16-10-9-14(11-17(16)26-2)20(23)22-15-12-18(13-7-5-4-6-8-13)28-19(15)21(24)27-3/h4-12H,1-3H3,(H,22,23)

InChI Key

NOIVVGPXSZHSHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04418052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.117

Distribution Coefficient, logD

4.113

Water Solubility, LogSw

-4.42

Polar Surface Area

59.813

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

-7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C908-0040 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C908-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C908-0040?
Check Price and Availability of C908-0040, 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 C908-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C908-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C908-0040
  • 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 C908-0040 available by request