0945-0246 Screening compound: ethyl 2-(4-bromobenzamido)-4,5-dimethylthiophene-3-carboxylate

0945-0246 Screening compound: ethyl 2-(4-bromobenzamido)-4,5-dimethylthiophene-3-carboxylate
0945-0246 Screening compound: ethyl 2-(4-bromobenzamido)-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0945-0246
ethyl 2-(4-bromobenzamido)-4,5-dimethylthiophene-3-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

0945-0246

Molecular Formula

C16H16BrNO3S (C16 H16 BrNO3 S)

Compound Name

ethyl 2-(4-bromobenzamido)-4,5-dimethylthiophene-3-carboxylate

IUPAC name

ethyl 2-(4-bromobenzamido)-45-dimethylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)ccc2Br)=O)sc(C)c1C)=O

InChI

InChI=1S/C16H16BrNO3S/c1-4-21-16(20)13-9(2)10(3)22-15(13)18-14(19)11-5-7-12(17)8-6-11/h5-8H,4H2,1-3H3,(H,18,19)

InChI Key

WWPDZVWCZJJOHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00300061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.516

Distribution Coefficient, logD

-0.100

Water Solubility, LogSw

-4.39

Polar Surface Area

43.878

Acid Dissociation Constant (pKa)

2.78

Base Dissociation Constant (pKb)

-6.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0945-0246 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0945-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0945-0246?
Check Price and Availability of 0945-0246, 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 0945-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0945-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0945-0246
  • 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 0945-0246 available by request