V021-2176 Screening compound: 4-[(2E)-but-2-en-1-yl]-2-methyl-N-{[3-(trifluoromethyl)phenyl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxamide

V021-2176 Screening compound: 4-[(2E)-but-2-en-1-yl]-2-methyl-N-{[3-(trifluoromethyl)phenyl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxamide
V021-2176 Screening compound: 4-[(2E)-but-2-en-1-yl]-2-methyl-N-{[3-(trifluoromethyl)phenyl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-2176
4-[(2E)-but-2-en-1-yl]-2-methyl-N-{[3-(trifluoromethyl)phenyl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxamide

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

V021-2176

Molecular Formula

C20H19F3N2OS (C20 H19 F3 N2 OS)

Compound Name

4-[(2E)-but-2-en-1-yl]-2-methyl-N-{[3-(trifluoromethyl)phenyl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxamide

IUPAC name

4-[(2E)-but-2-en-1-yl]-2-methyl-N-{[3-(trifluoromethyl)phenyl]methyl}-4H-thieno[32-b]pyrrole-5-carboxamide

SMILES

C/C=C/Cn(c(C(NCc1cc(C(F)(F)F)ccc1)=O)c1)c2c1sc(C)c2

InChI

InChI=1S/C20H19F3N2OS/c1-3-4-8-25-16-9-13(2)27-18(16)11-17(25)19(26)24-12-14-6-5-7-15(10-14)20(21,22)23/h3-7,9-11H,8,12H2,1-2H3,(H,24,26)

InChI Key

FROYVDWBHKJSIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19895828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.713

Distribution Coefficient, logD

5.713

Water Solubility, LogSw

-5.54

Polar Surface Area

26.374

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V021-2176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2176?
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What is the minimum amount of V021-2176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2176
  • 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 V021-2176 available by request