C794-0005 Screening compound: methyl 4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

C794-0005 Screening compound: methyl 4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
C794-0005 Screening compound: methyl 4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0005
methyl 4-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

C794-0005

Molecular Formula

C9H9NO2S (C9 H9 NO2 S)

Compound Name

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

IUPAC name

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

SMILES

Cn(c(C(OC)=O)c1)c2c1scc2

InChI

InChI=1S/C9H9NO2S/c1-10-6-3-4-13-8(6)5-7(10)9(11)12-2/h3-5H,1-2H3

InChI Key

XEUNAKNOKLBKIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07772839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

195.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.790

Distribution Coefficient, logD

1.790

Water Solubility, LogSw

-2.34

Polar Surface Area

23.966

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

C794-0005 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C794-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0005?
Check Price and Availability of C794-0005, 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 C794-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0005
  • 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 C794-0005 available by request