C794-1151 Screening compound: methyl 4-(3-methoxybenzyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

C794-1151 Screening compound: methyl 4-(3-methoxybenzyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
C794-1151 Screening compound: methyl 4-(3-methoxybenzyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1151
methyl 4-(3-methoxybenzyl)-2-methyl-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

C794-1151

Molecular Formula

C17H17NO3S (C17 H17 NO3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(n(Cc2cc(OC)ccc2)c(C(OC)=O)c2)c2s1

InChI

InChI=1S/C17H17NO3S/c1-11-7-14-16(22-11)9-15(17(19)21-3)18(14)10-12-5-4-6-13(8-12)20-2/h4-9H,10H2,1-3H3

InChI Key

JQDZBBHZGVEDBS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.214

Distribution Coefficient, logD

4.214

Water Solubility, LogSw

-4.48

Polar Surface Area

30.428

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

C794-1151 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C794-1151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1151?
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What is the minimum amount of C794-1151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1151
  • 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 C794-1151 available by request