C777-0293 Screening compound: methyl 4-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate

C777-0293 Screening compound: methyl 4-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
C777-0293 Screening compound: methyl 4-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C777-0293
methyl 4-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-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

C777-0293

Molecular Formula

C17H13F3N2O3S (C17 H13 F3 N2 O3 S)

Compound Name

methyl 4-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate

IUPAC name

methyl 4-({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)-4H-thieno[32-b]pyrrole-5-carboxylate

SMILES

COC(c1cc(scc2)c2n1CC(Nc1c(C(F)(F)F)cccc1)=O)=O

InChI

InChI=1S/C17H13F3N2O3S/c1-25-16(24)13-8-14-12(6-7-26-14)22(13)9-15(23)21-11-5-3-2-4-10(11)17(18,19)20/h2-8H,9H2,1H3,(H,21,23)

InChI Key

NVHWIJKSARZIIW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

3.672

Water Solubility, LogSw

-4.00

Polar Surface Area

45.336

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

References: we are preparing a list of scientific research reports with C777-0293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C777-0293?
Check Price and Availability of C777-0293, 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 C777-0293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C777-0293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C777-0293
  • 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 C777-0293 available by request