V011-5245 Screening compound: 2-(3-{[(3,4-dimethoxyphenethyl)(methyl)amino]carbonyl}phenyl)-N-(2-thienylmethyl)-5-pyrimidinecarboxamide

V011-5245 Screening compound: 2-(3-{[(3,4-dimethoxyphenethyl)(methyl)amino]carbonyl}phenyl)-N-(2-thienylmethyl)-5-pyrimidinecarboxamide
V011-5245 Screening compound: 2-(3-{[(3,4-dimethoxyphenethyl)(methyl)amino]carbonyl}phenyl)-N-(2-thienylmethyl)-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-5245
2-(3-{[(3,4-dimethoxyphenethyl)(methyl)amino]carbonyl}phenyl)-N-(2-thienylmethyl)-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

V011-5245

Molecular Formula

C28H28N4O4S (C28 H28 N4 O4 S)

Compound Name

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

IUPAC name

2-(3-{[2-(34-dimethoxyphenyl)ethyl](methyl)carbamoyl}phenyl)-N-[(thiophen-2-yl)methyl]pyrimidine-5-carboxamide

SMILES

CN(CCc(cc1)cc(OC)c1OC)C(c1cccc(-c(nc2)ncc2C(NCc2cccs2)=O)c1)=O

InChI

InChI=1S/C28H28N4O4S/c1-32(12-11-19-9-10-24(35-2)25(14-19)36-3)28(34)21-7-4-6-20(15-21)26-29-16-22(17-30-26)27(33)31-18-23-8-5-13-37-23/h4-10,13-17H,11-12,18H2,1-3H3,(H,31,33)

InChI Key

AIWVPUNYBBVFQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19953605

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.62

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

3.176

Distribution Coefficient, logD

3.176

Water Solubility, LogSw

-3.38

Polar Surface Area

76.403

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

V011-5245 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V011-5245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-5245?
Check Price and Availability of V011-5245, 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 V011-5245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-5245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-5245
  • 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 V011-5245 available by request