V007-9212 Screening compound: ethyl 4-[{2-[{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}(cyclohexyl)amino]-2-oxoethyl}(isopentyl)amino]-4-oxobutanoate

V007-9212 Screening compound: ethyl 4-[{2-[{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}(cyclohexyl)amino]-2-oxoethyl}(isopentyl)amino]-4-oxobutanoate
V007-9212 Screening compound: ethyl 4-[{2-[{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}(cyclohexyl)amino]-2-oxoethyl}(isopentyl)amino]-4-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-9212
ethyl 4-[{2-[{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}(cyclohexyl)amino]-2-oxoethyl}(isopentyl)amino]-4-oxobutanoate

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

V007-9212

Molecular Formula

C31H44ClN3O4 (C31 H44 ClN3 O4)

Compound Name

ethyl 4-[{2-[{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}(cyclohexyl)amino]-2-oxoethyl}(isopentyl)amino]-4-oxobutanoate

IUPAC name

ethyl 3-({[({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)carbamoyl]methyl}(3-methylbutyl)carbamoyl)propanoate

SMILES

CCOC(CCC(N(CCC(C)C)CC(N(Cc1cccn1Cc(cccc1)c1Cl)C1CCCCC1)=O)=O)=O

InChI

InChI=1S/C31H44ClN3O4/c1-4-39-31(38)17-16-29(36)34(20-18-24(2)3)23-30(37)35(26-12-6-5-7-13-26)22-27-14-10-19-33(27)21-25-11-8-9-15-28(25)32/h8-11,14-15,19,24,26H,4-7,12-13,16-18,20-23H2,1-3H3

InChI Key

IDZMPWKEDYQJJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19736319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.16

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.079

Distribution Coefficient, logD

6.079

Water Solubility, LogSw

-5.92

Polar Surface Area

53.329

Acid Dissociation Constant (pKa)

23.44

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.06

References: we are preparing a list of scientific research reports with V007-9212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-9212?
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What is the minimum amount of V007-9212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-9212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-9212
  • 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 V007-9212 available by request