V010-3512 Screening compound: N-{4-[6-(2,5-dimethoxyphenyl)pyridin-2-yl]phenyl}-4-pentylbenzamide

V010-3512 Screening compound: N-{4-[6-(2,5-dimethoxyphenyl)pyridin-2-yl]phenyl}-4-pentylbenzamide
V010-3512 Screening compound: N-{4-[6-(2,5-dimethoxyphenyl)pyridin-2-yl]phenyl}-4-pentylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-3512
N-{4-[6-(2,5-dimethoxyphenyl)pyridin-2-yl]phenyl}-4-pentylbenzamide

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

V010-3512

Molecular Formula

C31H32N2O3 (C31 H32 N2 O3)

Compound Name

N-{4-[6-(2,5-dimethoxyphenyl)pyridin-2-yl]phenyl}-4-pentylbenzamide

IUPAC name

N-{4-[6-(25-dimethoxyphenyl)pyridin-2-yl]phenyl}-4-pentylbenzamide

SMILES

CCCCCc(cc1)ccc1C(Nc(cc1)ccc1-c1nc(-c(cc(cc2)OC)c2OC)ccc1)=O

InChI

InChI=1S/C31H32N2O3/c1-4-5-6-8-22-11-13-24(14-12-22)31(34)32-25-17-15-23(16-18-25)28-9-7-10-29(33-28)27-21-26(35-2)19-20-30(27)36-3/h7,9-21H,4-6,8H2,1-3H3,(H,32,34)

InChI Key

MEGYBNZIBFXOFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19952806

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

480.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.253

Distribution Coefficient, logD

7.754

Water Solubility, LogSw

-5.59

Polar Surface Area

46.576

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.60

V010-3512 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 V010-3512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-3512?
Check Price and Availability of V010-3512, 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 V010-3512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-3512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-3512
  • 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 V010-3512 available by request