V025-3422 Screening compound: ethyl 1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxylate

V025-3422 Screening compound: ethyl 1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxylate
V025-3422 Screening compound: ethyl 1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-3422
ethyl 1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-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

V025-3422

Molecular Formula

C22H23FN2O3S (C22 H23 FN2 O3 S)

Compound Name

ethyl 1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{4-[(4-fluorophenyl)methyl]-4H-thieno[32-b]pyrrole-5-carbonyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c1cc(scc2)c2n1Cc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C22H23FN2O3S/c1-2-28-22(27)16-7-10-24(11-8-16)21(26)19-13-20-18(9-12-29-20)25(19)14-15-3-5-17(23)6-4-15/h3-6,9,12-13,16H,2,7-8,10-11,14H2,1H3

InChI Key

QWBZZOMPLZJFBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19895151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.154

Distribution Coefficient, logD

4.154

Water Solubility, LogSw

-4.05

Polar Surface Area

39.113

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with V025-3422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-3422?
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What is the minimum amount of V025-3422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-3422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-3422
  • 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 V025-3422 available by request