V013-4309 Screening compound: 4-(3-methoxyanilino)-2-phenyl-N~5~-(1,2,3,4-tetrahydro-1-naphthalenyl)-5-pyrimidinecarboxamide

V013-4309 Screening compound: 4-(3-methoxyanilino)-2-phenyl-N~5~-(1,2,3,4-tetrahydro-1-naphthalenyl)-5-pyrimidinecarboxamide
V013-4309 Screening compound: 4-(3-methoxyanilino)-2-phenyl-N~5~-(1,2,3,4-tetrahydro-1-naphthalenyl)-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4309
4-(3-methoxyanilino)-2-phenyl-N~5~-(1,2,3,4-tetrahydro-1-naphthalenyl)-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

V013-4309

Molecular Formula

C28H26N4O2 (C28 H26 N4 O2)

Compound Name

4-(3-methoxyanilino)-2-phenyl-N~5~-(1,2,3,4-tetrahydro-1-naphthalenyl)-5-pyrimidinecarboxamide

IUPAC name

n/a

SMILES

COc1cccc(Nc(nc(-c2ccccc2)nc2)c2C(NC(CCC2)c3c2cccc3)=O)c1

InChI

InChI=1S/C28H26N4O2/c1-34-22-14-8-13-21(17-22)30-27-24(18-29-26(32-27)20-10-3-2-4-11-20)28(33)31-25-16-7-12-19-9-5-6-15-23(19)25/h2-6,8-11,13-15,17-18,25H,7,12,16H2,1H3,(H,31,33)(H,29,30,32)/t25-/m0/s1

InChI Key

AYFFASRAQFATEG-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19973606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.158

Distribution Coefficient, logD

6.155

Water Solubility, LogSw

-5.33

Polar Surface Area

60.413

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

V013-4309 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V013-4309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4309?
Check Price and Availability of V013-4309, 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 V013-4309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4309
  • 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 V013-4309 available by request