C777-0701 Screening compound: methyl 6-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate

C777-0701 Screening compound: methyl 6-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate
C777-0701 Screening compound: methyl 6-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C777-0701
methyl 6-{[(5-chloro-2-methoxyphenyl)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

C777-0701

Molecular Formula

C17H15ClN2O4S (C17 H15 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c(n1CC(Nc(cc(cc2)Cl)c2OC)=O)cc2c1scc2)=O

InChI

InChI=1S/C17H15ClN2O4S/c1-23-14-4-3-11(18)8-12(14)19-15(21)9-20-13(17(22)24-2)7-10-5-6-25-16(10)20/h3-8H,9H2,1-2H3,(H,19,21)

InChI Key

CKWUGNRHDNXSCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.543

Distribution Coefficient, logD

3.534

Water Solubility, LogSw

-3.86

Polar Surface Area

52.802

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C777-0701 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C777-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C777-0701?
Check Price and Availability of C777-0701, 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 C777-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C777-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C777-0701
  • 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 C777-0701 available by request