V025-0429 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-N-(prop-2-en-1-yl)formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

V025-0429 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-N-(prop-2-en-1-yl)formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
V025-0429 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-N-(prop-2-en-1-yl)formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-0429
ethyl 4-{2-[1-(4-chlorophenyl)-N-(prop-2-en-1-yl)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

V025-0429

Molecular Formula

C23H27ClN2O4 (C23 H27 ClN2 O4)

Compound Name

ethyl 4-{2-[1-(4-chlorophenyl)-N-(prop-2-en-1-yl)formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-{2-[1-(4-chlorophenyl)-N-(prop-2-en-1-yl)formamido]acetyl}-1-ethyl-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCn1c(C(OCC)=O)c(C)c(C(CN(CC=C)C(c(cc2)ccc2Cl)=O)=O)c1C

InChI

InChI=1S/C23H27ClN2O4/c1-6-13-25(22(28)17-9-11-18(24)12-10-17)14-19(27)20-15(4)21(23(29)30-8-3)26(7-2)16(20)5/h6,9-12H,1,7-8,13-14H2,2-5H3

InChI Key

QXDWMXKSYVDBBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13968033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-4.79

Polar Surface Area

51.152

Acid Dissociation Constant (pKa)

20.40

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with V025-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-0429?
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What is the minimum amount of V025-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-0429
  • 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 V025-0429 available by request