V014-9479 Screening compound: ethyl 4-{2-[(3-ethoxypropyl)(2-fluorobenzoyl)amino]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

V014-9479 Screening compound: ethyl 4-{2-[(3-ethoxypropyl)(2-fluorobenzoyl)amino]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
V014-9479 Screening compound: ethyl 4-{2-[(3-ethoxypropyl)(2-fluorobenzoyl)amino]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-9479
ethyl 4-{2-[(3-ethoxypropyl)(2-fluorobenzoyl)amino]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

V014-9479

Molecular Formula

C25H33FN2O5 (C25 H33 FN2 O5)

Compound Name

ethyl 4-{2-[(3-ethoxypropyl)(2-fluorobenzoyl)amino]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-{2-[N-(3-ethoxypropyl)-1-(2-fluorophenyl)formamido]acetyl}-1-ethyl-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCn1c(C(OCC)=O)c(C)c(C(CN(CCCOCC)C(c(cccc2)c2F)=O)=O)c1C

InChI

InChI=1S/C25H33FN2O5/c1-6-28-18(5)22(17(4)23(28)25(31)33-8-3)21(29)16-27(14-11-15-32-7-2)24(30)19-12-9-10-13-20(19)26/h9-10,12-13H,6-8,11,14-16H2,1-5H3

InChI Key

UJFQTYHCIDFTND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20022610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

3.457

Water Solubility, LogSw

-3.76

Polar Surface Area

59.129

Acid Dissociation Constant (pKa)

20.18

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

V014-9479 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V014-9479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-9479?
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What is the minimum amount of V014-9479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-9479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-9479
  • 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 V014-9479 available by request