V006-0125 Screening compound: 4-(3,4-dimethoxyanilino)-N~5~-(3-methoxypropyl)-2-phenyl-5-pyrimidinecarboxamide

V006-0125 Screening compound: 4-(3,4-dimethoxyanilino)-N~5~-(3-methoxypropyl)-2-phenyl-5-pyrimidinecarboxamide
V006-0125 Screening compound: 4-(3,4-dimethoxyanilino)-N~5~-(3-methoxypropyl)-2-phenyl-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0125
4-(3,4-dimethoxyanilino)-N~5~-(3-methoxypropyl)-2-phenyl-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

V006-0125

Molecular Formula

C23H26N4O4 (C23 H26 N4 O4)

Compound Name

4-(3,4-dimethoxyanilino)-N~5~-(3-methoxypropyl)-2-phenyl-5-pyrimidinecarboxamide

IUPAC name

n/a

SMILES

COCCCNC(c1c(Nc(cc2)cc(OC)c2OC)nc(-c2ccccc2)nc1)=O

InChI

InChI=1S/C23H26N4O4/c1-29-13-7-12-24-23(28)18-15-25-21(16-8-5-4-6-9-16)27-22(18)26-17-10-11-19(30-2)20(14-17)31-3/h4-6,8-11,14-15H,7,12-13H2,1-3H3,(H,24,28)(H,25,26,27)

InChI Key

DMYBFPQLBHGBJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19973587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.315

Distribution Coefficient, logD

3.311

Water Solubility, LogSw

-3.60

Polar Surface Area

76.742

Acid Dissociation Constant (pKa)

14.89

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V006-0125 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V006-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0125?
Check Price and Availability of V006-0125, 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 V006-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0125
  • 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 V006-0125 available by request