V012-6844 Screening compound: N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)-1-octanoylpyrrolidine-2-carboxamide

V012-6844 Screening compound: N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)-1-octanoylpyrrolidine-2-carboxamide
V012-6844 Screening compound: N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)-1-octanoylpyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-6844
N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)-1-octanoylpyrrolidine-2-carboxamide

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

V012-6844

Molecular Formula

C35H49N3O4 (C35 H49 N3 O4)

Compound Name

N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)-1-octanoylpyrrolidine-2-carboxamide

IUPAC name

(2S)-N-[(1R2R)-2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl]-1-octanoylpyrrolidine-2-carboxamide

SMILES

CCCCCCCC(N(CCC1)[C@H]1C(N[C@@H](CCCC1)[C@H]1N(Cc1cc(C)ccc1)C(c(cc1)ccc1OC)=O)=O)=O

InChI

InChI=1S/C35H49N3O4/c1-4-5-6-7-8-18-33(39)37-23-12-17-32(37)34(40)36-30-15-9-10-16-31(30)38(25-27-14-11-13-26(2)24-27)35(41)28-19-21-29(42-3)22-20-28/h11,13-14,19-22,24,30-32H,4-10,12,15-18,23,25H2,1-3H3,(H,36,40)/t30-,31-,32+/m0/s1

InChI Key

KVIMUKZPTALYLX-OWHBQTKESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.519

Distribution Coefficient, logD

6.519

Water Solubility, LogSw

-5.49

Polar Surface Area

63.221

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with V012-6844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-6844?
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What is the minimum amount of V012-6844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-6844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-6844
  • 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 V012-6844 available by request