C703-0400 Screening compound: methyl 3-({[4-(4-chlorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]carbonyl}amino)-2-thiophenecarboxylate

C703-0400 Screening compound: methyl 3-({[4-(4-chlorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]carbonyl}amino)-2-thiophenecarboxylate
C703-0400 Screening compound: methyl 3-({[4-(4-chlorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]carbonyl}amino)-2-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C703-0400
methyl 3-({[4-(4-chlorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]carbonyl}amino)-2-thiophenecarboxylate

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

C703-0400

Molecular Formula

C20H15ClN2O3S2 (C20 H15 ClN2 O3 S2)

Compound Name

methyl 3-({[4-(4-chlorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]carbonyl}amino)-2-thiophenecarboxylate

IUPAC name

methyl 3-{4-[(4-chlorophenyl)methyl]-4H-thieno[32-b]pyrrole-5-amido}thiophene-2-carboxylate

SMILES

COC(c(scc1)c1NC(c1cc(scc2)c2n1Cc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C20H15ClN2O3S2/c1-26-20(25)18-14(6-8-28-18)22-19(24)16-10-17-15(7-9-27-17)23(16)11-12-2-4-13(21)5-3-12/h2-10H,11H2,1H3,(H,22,24)

InChI Key

CENWRCUJYQFESX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.164

Distribution Coefficient, logD

4.978

Water Solubility, LogSw

-5.58

Polar Surface Area

46.296

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C703-0400 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C703-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C703-0400?
Check Price and Availability of C703-0400, 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 C703-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C703-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C703-0400
  • 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 C703-0400 available by request