V011-4700 Screening compound: N-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexyl-2-phenylbutanamide

V011-4700 Screening compound: N-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexyl-2-phenylbutanamide
V011-4700 Screening compound: N-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexyl-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-4700
N-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexyl-2-phenylbutanamide

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

V011-4700

Molecular Formula

C28H33ClN2O (C28 H33 ClN2 O)

Compound Name

N-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexyl-2-phenylbutanamide

IUPAC name

N-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexyl-2-phenylbutanamide

SMILES

CCC(C(N(Cc1cccn1Cc1cccc(Cl)c1)C1CCCCC1)=O)c1ccccc1

InChI

InChI=1S/C28H33ClN2O/c1-2-27(23-12-5-3-6-13-23)28(32)31(25-15-7-4-8-16-25)21-26-17-10-18-30(26)20-22-11-9-14-24(29)19-22/h3,5-6,9-14,17-19,25,27H,2,4,7-8,15-16,20-21H2,1H3/t27-/m1/s1

InChI Key

SWWMVTMWKQTAKZ-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19989468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.04

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.185

Distribution Coefficient, logD

7.185

Water Solubility, LogSw

-6.26

Polar Surface Area

17.493

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

V011-4700 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V011-4700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-4700?
Check Price and Availability of V011-4700, 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 V011-4700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-4700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-4700
  • 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 V011-4700 available by request