V026-2391 Screening compound: ethyl 4-{2-[N-cyclopropyl-1-(4-fluorophenyl)formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

V026-2391 Screening compound: ethyl 4-{2-[N-cyclopropyl-1-(4-fluorophenyl)formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
V026-2391 Screening compound: ethyl 4-{2-[N-cyclopropyl-1-(4-fluorophenyl)formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-2391
ethyl 4-{2-[N-cyclopropyl-1-(4-fluorophenyl)formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-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

V026-2391

Molecular Formula

C23H27FN2O4 (C23 H27 FN2 O4)

Compound Name

ethyl 4-{2-[N-cyclopropyl-1-(4-fluorophenyl)formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-{2-[N-cyclopropyl-1-(4-fluorophenyl)formamido]acetyl}-1-ethyl-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCn1c(C(OCC)=O)c(C)c(C(CN(C2CC2)C(c(cc2)ccc2F)=O)=O)c1C

InChI

InChI=1S/C23H27FN2O4/c1-5-25-15(4)20(14(3)21(25)23(29)30-6-2)19(27)13-26(18-11-12-18)22(28)16-7-9-17(24)10-8-16/h7-10,18H,5-6,11-13H2,1-4H3

InChI Key

KWXXMGVCFVGDDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13268154

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

414.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.707

Distribution Coefficient, logD

3.707

Water Solubility, LogSw

-4.22

Polar Surface Area

50.477

Acid Dissociation Constant (pKa)

20.59

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

V026-2391 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V026-2391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-2391?
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What is the minimum amount of V026-2391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-2391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-2391
  • 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 V026-2391 available by request