V010-5958 Screening compound: 2-(3-{[(3,4-dimethoxyphenethyl)(methyl)amino]carbonyl}phenyl)-N~5~-(1-phenylethyl)-5-pyrimidinecarboxamide

V010-5958 Screening compound: 2-(3-{[(3,4-dimethoxyphenethyl)(methyl)amino]carbonyl}phenyl)-N~5~-(1-phenylethyl)-5-pyrimidinecarboxamide
V010-5958 Screening compound: 2-(3-{[(3,4-dimethoxyphenethyl)(methyl)amino]carbonyl}phenyl)-N~5~-(1-phenylethyl)-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-5958
2-(3-{[(3,4-dimethoxyphenethyl)(methyl)amino]carbonyl}phenyl)-N~5~-(1-phenylethyl)-5-pyrimidinecarboxamide

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

V010-5958

Molecular Formula

C31H32N4O4 (C31 H32 N4 O4)

Compound Name

2-(3-{[(3,4-dimethoxyphenethyl)(methyl)amino]carbonyl}phenyl)-N~5~-(1-phenylethyl)-5-pyrimidinecarboxamide

IUPAC name

n/a

SMILES

CC(c1ccccc1)NC(c1cnc(-c2cccc(C(N(C)CCc(cc3)cc(OC)c3OC)=O)c2)nc1)=O

InChI

InChI=1S/C31H32N4O4/c1-21(23-9-6-5-7-10-23)34-30(36)26-19-32-29(33-20-26)24-11-8-12-25(18-24)31(37)35(2)16-15-22-13-14-27(38-3)28(17-22)39-4/h5-14,17-21H,15-16H2,1-4H3,(H,34,36)/t21-/m0/s1

InChI Key

QIPINSHWBHGEBL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19953626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.460

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-3.68

Polar Surface Area

74.548

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.60

V010-5958 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V010-5958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-5958?
Check Price and Availability of V010-5958, 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 V010-5958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-5958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-5958
  • 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 V010-5958 available by request