V012-8846 Screening compound: 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-methyl-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine

V012-8846 Screening compound: 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-methyl-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine
V012-8846 Screening compound: 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-methyl-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-8846
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-methyl-N-(4-methylphenyl)-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

V012-8846

Molecular Formula

C29H28FN5O (C29 H28 FN5 O)

Compound Name

5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-methyl-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine

IUPAC name

5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-methyl-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine

SMILES

Cc(cc1)ccc1N(C)c(nc(-c1ccccc1)nc1)c1C(N(CC1)CCN1c(cccc1)c1F)=O

InChI

InChI=1S/C29H28FN5O/c1-21-12-14-23(15-13-21)33(2)28-24(20-31-27(32-28)22-8-4-3-5-9-22)29(36)35-18-16-34(17-19-35)26-11-7-6-10-25(26)30/h3-15,20H,16-19H2,1-2H3

InChI Key

SHXAYIIIOVVWCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19973690

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

481.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.453

Distribution Coefficient, logD

5.431

Water Solubility, LogSw

-5.46

Polar Surface Area

40.774

Acid Dissociation Constant (pKa)

24.92

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.69

V012-8846 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V012-8846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-8846?
Check Price and Availability of V012-8846, 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 V012-8846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-8846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-8846
  • 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 V012-8846 available by request