C795-0908 Screening compound: methyl 4-{1-methyl-2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate

C795-0908 Screening compound: methyl 4-{1-methyl-2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
C795-0908 Screening compound: methyl 4-{1-methyl-2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0908
methyl 4-{1-methyl-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

C795-0908

Molecular Formula

C18H15F3N2O3S (C18 H15 F3 N2 O3 S)

Compound Name

methyl 4-{1-methyl-2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate

IUPAC name

methyl 4-(1-{[2-(trifluoromethyl)phenyl]carbamoyl}ethyl)-4H-thieno[32-b]pyrrole-5-carboxylate

SMILES

CC(C(Nc1c(C(F)(F)F)cccc1)=O)n(c(C(OC)=O)c1)c2c1scc2

InChI

InChI=1S/C18H15F3N2O3S/c1-10(16(24)22-12-6-4-3-5-11(12)18(19,20)21)23-13-7-8-27-15(13)9-14(23)17(25)26-2/h3-10H,1-2H3,(H,22,24)/t10-/m0/s1

InChI Key

JVICOBVBYNMXHO-JTQLQIEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.39

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

3.798

Distribution Coefficient, logD

3.798

Water Solubility, LogSw

-4.11

Polar Surface Area

46.245

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with C795-0908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0908?
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What is the minimum amount of C795-0908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0908
  • 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 C795-0908 available by request