V010-2161 Screening compound: 1-(2-ethylhexanoyl)-N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)pyrrolidine-2-carboxamide

V010-2161 Screening compound: 1-(2-ethylhexanoyl)-N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)pyrrolidine-2-carboxamide
V010-2161 Screening compound: 1-(2-ethylhexanoyl)-N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-2161
1-(2-ethylhexanoyl)-N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)pyrrolidine-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

V010-2161

Molecular Formula

C35H49N3O4 (C35 H49 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(CC)C(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/c1-5-7-14-27(6-2)34(40)37-22-11-17-32(37)33(39)36-30-15-8-9-16-31(30)38(24-26-13-10-12-25(3)23-26)35(41)28-18-20-29(42-4)21-19-28/h10,12-13,18-21,23,27,30-32H,5-9,11,14-17,22,24H2,1-4H3,(H,36,39)/t27?,30-,31-,32+/m0/s1

InChI Key

GEAOUNFFJNRAPF-XBIBYPBWSA-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

15.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.301

Distribution Coefficient, logD

6.301

Water Solubility, LogSw

-5.39

Polar Surface Area

63.748

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

57.14

V010-2161 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 V010-2161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-2161?
Check Price and Availability of V010-2161, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V010-2161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-2161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-2161
  • 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 V010-2161 available by request