C795-0890 Screening compound: methyl 4-[2-(4-acetylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate

C795-0890 Screening compound: methyl 4-[2-(4-acetylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
C795-0890 Screening compound: methyl 4-[2-(4-acetylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0890
methyl 4-[2-(4-acetylanilino)-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

C795-0890

Molecular Formula

C18H16N2O4S (C18 H16 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1)ccc1NC(Cn(c(C(OC)=O)c1)c2c1scc2)=O)=O

InChI

InChI=1S/C18H16N2O4S/c1-11(21)12-3-5-13(6-4-12)19-17(22)10-20-14-7-8-25-16(14)9-15(20)18(23)24-2/h3-9H,10H2,1-2H3,(H,19,22)

InChI Key

RDZUAAVJZFWVGL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.698

Distribution Coefficient, logD

2.698

Water Solubility, LogSw

-3.06

Polar Surface Area

59.861

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with C795-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0890?
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What is the minimum amount of C795-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0890
  • 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 C795-0890 available by request