C777-0302 Screening compound: methyl 4-[2-(3,4-dimethylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate

C777-0302 Screening compound: methyl 4-[2-(3,4-dimethylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
C777-0302 Screening compound: methyl 4-[2-(3,4-dimethylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C777-0302
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethyl]-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

C777-0302

Molecular Formula

C18H18N2O3S (C18 H18 N2 O3 S)

Compound Name

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

IUPAC name

methyl 4-{[(34-dimethylphenyl)carbamoyl]methyl}-4H-thieno[32-b]pyrrole-5-carboxylate

SMILES

Cc(cc1)c(C)cc1NC(Cn(c(C(OC)=O)c1)c2c1scc2)=O

InChI

InChI=1S/C18H18N2O3S/c1-11-4-5-13(8-12(11)2)19-17(21)10-20-14-6-7-24-16(14)9-15(20)18(22)23-3/h4-9H,10H2,1-3H3,(H,19,21)

InChI Key

ZIWUFZOPONQWDA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

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

4.143

Distribution Coefficient, logD

4.143

Water Solubility, LogSw

-4.21

Polar Surface Area

46.034

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with C777-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C777-0302?
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What is the minimum amount of C777-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C777-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C777-0302
  • 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 C777-0302 available by request