C777-0403 Screening compound: methyl 2-chloro-4-(3-fluorobenzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate

C777-0403 Screening compound: methyl 2-chloro-4-(3-fluorobenzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate
C777-0403 Screening compound: methyl 2-chloro-4-(3-fluorobenzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C777-0403
methyl 2-chloro-4-(3-fluorobenzyl)-4H-thieno[3,2-b]pyrrole-5-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

C777-0403

Molecular Formula

C15H11ClFNO2S (C15 H11 ClFNO2 S)

Compound Name

methyl 2-chloro-4-(3-fluorobenzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate

IUPAC name

methyl 2-chloro-4-[(3-fluorophenyl)methyl]-4H-thieno[32-b]pyrrole-5-carboxylate

SMILES

COC(c1cc(sc(Cl)c2)c2n1Cc1cc(F)ccc1)=O

InChI

InChI=1S/C15H11ClFNO2S/c1-20-15(19)12-6-13-11(7-14(16)21-13)18(12)8-9-3-2-4-10(17)5-9/h2-7H,8H2,1H3

InChI Key

BVCBAXJMNBAJMO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.77

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.331

Distribution Coefficient, logD

4.331

Water Solubility, LogSw

-4.57

Polar Surface Area

22.885

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

C777-0403 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C777-0403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C777-0403?
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What is the minimum amount of C777-0403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C777-0403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C777-0403
  • 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 C777-0403 available by request