4312-0639 Screening compound: 2-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}benzoic acid

4312-0639 Screening compound: 2-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}benzoic acid
4312-0639 Screening compound: 2-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4312-0639
2-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}benzoic acid

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

4312-0639

Molecular Formula

C17H17NO5S (C17 H17 NO5 S)

Compound Name

2-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}benzoic acid

IUPAC name

2-{[3-(ethoxycarbonyl)-45-dimethylthiophen-2-yl]carbamoyl}benzoic acid

SMILES

CCOC(c1c(NC(c(cccc2)c2C(O)=O)=O)sc(C)c1C)=O

InChI

InChI=1S/C17H17NO5S/c1-4-23-17(22)13-9(2)10(3)24-15(13)18-14(19)11-7-5-6-8-12(11)16(20)21/h5-8H,4H2,1-3H3,(H,18,19)(H,20,21)

InChI Key

PAVWTDUNYDCQOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00385831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.936

Distribution Coefficient, logD

-1.900

Water Solubility, LogSw

-3.41

Polar Surface Area

72.286

Acid Dissociation Constant (pKa)

2.56

Base Dissociation Constant (pKb)

-6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

4312-0639 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 4312-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4312-0639?
Check Price and Availability of 4312-0639, 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 4312-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4312-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4312-0639
  • 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 4312-0639 available by request