C777-0720 Screening compound: methyl 6-{[(4-chloro-2-fluorophenyl)carbamoyl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate

C777-0720 Screening compound: methyl 6-{[(4-chloro-2-fluorophenyl)carbamoyl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate
C777-0720 Screening compound: methyl 6-{[(4-chloro-2-fluorophenyl)carbamoyl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C777-0720
methyl 6-{[(4-chloro-2-fluorophenyl)carbamoyl]methyl}-6H-thieno[2,3-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

C777-0720

Molecular Formula

C16H12ClFN2O3S (C16 H12 ClFN2 O3 S)

Compound Name

methyl 6-{[(4-chloro-2-fluorophenyl)carbamoyl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate

IUPAC name

methyl 6-{[(4-chloro-2-fluorophenyl)carbamoyl]methyl}-6H-thieno[23-b]pyrrole-5-carboxylate

SMILES

COC(c(n1CC(Nc(ccc(Cl)c2)c2F)=O)cc2c1scc2)=O

InChI

InChI=1S/C16H12ClFN2O3S/c1-23-16(22)13-6-9-4-5-24-15(9)20(13)8-14(21)19-12-3-2-10(17)7-11(12)18/h2-7H,8H2,1H3,(H,19,21)

InChI Key

PEGRZTJMUVQLIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.912

Distribution Coefficient, logD

3.892

Water Solubility, LogSw

-4.33

Polar Surface Area

45.171

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with C777-0720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C777-0720?
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What is the minimum amount of C777-0720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C777-0720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C777-0720
  • 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 C777-0720 available by request