V028-2390 Screening compound: methyl 4-{2-[1-(4-methoxyphenyl)-N-(prop-2-en-1-yl)formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

V028-2390 Screening compound: methyl 4-{2-[1-(4-methoxyphenyl)-N-(prop-2-en-1-yl)formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
V028-2390 Screening compound: methyl 4-{2-[1-(4-methoxyphenyl)-N-(prop-2-en-1-yl)formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-2390
methyl 4-{2-[1-(4-methoxyphenyl)-N-(prop-2-en-1-yl)formamido]acetyl}-1,3,5-trimethyl-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

V028-2390

Molecular Formula

C22H26N2O5 (C22 H26 N2 O5)

Compound Name

methyl 4-{2-[1-(4-methoxyphenyl)-N-(prop-2-en-1-yl)formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-{2-[1-(4-methoxyphenyl)-N-(prop-2-en-1-yl)formamido]acetyl}-135-trimethyl-1H-pyrrole-2-carboxylate

SMILES

Cc1c(C(OC)=O)n(C)c(C)c1C(CN(CC=C)C(c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C22H26N2O5/c1-7-12-24(21(26)16-8-10-17(28-5)11-9-16)13-18(25)19-14(2)20(22(27)29-6)23(4)15(19)3/h7-11H,1,12-13H2,2-6H3

InChI Key

DIGCKRSEVYGKGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19846753

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.323

Distribution Coefficient, logD

2.323

Water Solubility, LogSw

-2.50

Polar Surface Area

60.201

Acid Dissociation Constant (pKa)

20.40

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

V028-2390 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-2390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-2390?
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What is the minimum amount of V028-2390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-2390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-2390
  • 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 V028-2390 available by request