V012-0602 Screening compound: N-(3,4-dimethoxyphenyl)-3-methyl-N-{1-[(2-nitrophenyl)methyl]piperidin-4-yl}benzamide

V012-0602 Screening compound: N-(3,4-dimethoxyphenyl)-3-methyl-N-{1-[(2-nitrophenyl)methyl]piperidin-4-yl}benzamide
V012-0602 Screening compound: N-(3,4-dimethoxyphenyl)-3-methyl-N-{1-[(2-nitrophenyl)methyl]piperidin-4-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0602
N-(3,4-dimethoxyphenyl)-3-methyl-N-{1-[(2-nitrophenyl)methyl]piperidin-4-yl}benzamide

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

V012-0602

Molecular Formula

C28H31N3O5 (C28 H31 N3 O5)

Compound Name

N-(3,4-dimethoxyphenyl)-3-methyl-N-{1-[(2-nitrophenyl)methyl]piperidin-4-yl}benzamide

IUPAC name

N-(34-dimethoxyphenyl)-3-methyl-N-{1-[(2-nitrophenyl)methyl]piperidin-4-yl}benzamide

SMILES

Cc1cccc(C(N(C2CCN(Cc(cccc3)c3[N+]([O-])=O)CC2)c(cc2)cc(OC)c2OC)=O)c1

InChI

InChI=1S/C28H31N3O5/c1-20-7-6-9-21(17-20)28(32)30(24-11-12-26(35-2)27(18-24)36-3)23-13-15-29(16-14-23)19-22-8-4-5-10-25(22)31(33)34/h4-12,17-18,23H,13-16,19H2,1-3H3

InChI Key

RYOKATKXMYISCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19905555

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.795

Distribution Coefficient, logD

4.506

Water Solubility, LogSw

-4.66

Polar Surface Area

66.824

Acid Dissociation Constant (pKa)

26.94

Base Dissociation Constant (pKb)

7.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

V012-0602 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 V012-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0602?
Check Price and Availability of V012-0602, 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 V012-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0602
  • 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 V012-0602 available by request