V003-2712 Screening compound: N-(3-methoxyphenyl)-5-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-2-phenylpyrimidin-4-amine

V003-2712 Screening compound: N-(3-methoxyphenyl)-5-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-2-phenylpyrimidin-4-amine
V003-2712 Screening compound: N-(3-methoxyphenyl)-5-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-2-phenylpyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2712
N-(3-methoxyphenyl)-5-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-2-phenylpyrimidin-4-amine

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

V003-2712

Molecular Formula

C30H31N5O2 (C30 H31 N5 O2)

Compound Name

N-(3-methoxyphenyl)-5-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-2-phenylpyrimidin-4-amine

IUPAC name

N-(3-methoxyphenyl)-5-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-2-phenylpyrimidin-4-amine

SMILES

Cc1ccc(CN(CC2)CCN2C(c2c(Nc3cc(OC)ccc3)nc(-c3ccccc3)nc2)=O)cc1

InChI

InChI=1S/C30H31N5O2/c1-22-11-13-23(14-12-22)21-34-15-17-35(18-16-34)30(36)27-20-31-28(24-7-4-3-5-8-24)33-29(27)32-25-9-6-10-26(19-25)37-2/h3-14,19-20H,15-18,21H2,1-2H3,(H,31,32,33)

InChI Key

HGBLHVLDYFLFPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19973628

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

493.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.153

Distribution Coefficient, logD

5.102

Water Solubility, LogSw

-4.82

Polar Surface Area

56.344

Acid Dissociation Constant (pKa)

15.39

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

V003-2712 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V003-2712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2712?
Check Price and Availability of V003-2712, 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 V003-2712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2712
  • 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 V003-2712 available by request