C794-1100 Screening compound: methyl 4-benzyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

C794-1100 Screening compound: methyl 4-benzyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
C794-1100 Screening compound: methyl 4-benzyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1100
methyl 4-benzyl-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

C794-1100

Molecular Formula

C16H15NO2S (C16 H15 NO2 S)

Compound Name

methyl 4-benzyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

IUPAC name

methyl 4-benzyl-2-methyl-4H-thieno[32-b]pyrrole-5-carboxylate

SMILES

Cc1cc(n(Cc2ccccc2)c(C(OC)=O)c2)c2s1

InChI

InChI=1S/C16H15NO2S/c1-11-8-13-15(20-11)9-14(16(18)19-2)17(13)10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3

InChI Key

GOXYYBMSPZDSDR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.159

Distribution Coefficient, logD

4.159

Water Solubility, LogSw

-4.34

Polar Surface Area

22.885

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

C794-1100 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C794-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1100?
Check Price and Availability of C794-1100, 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 C794-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1100
  • 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 C794-1100 available by request