V012-2726 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-N-(2-fluorophenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrimidin-4-amine

V012-2726 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-N-(2-fluorophenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrimidin-4-amine
V012-2726 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-N-(2-fluorophenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-2726
2-(2H-1,3-benzodioxol-5-yl)-N-(2-fluorophenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrimidin-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

V012-2726

Molecular Formula

C28H23F2N5O3 (C28 H23 F2 N5 O3)

Compound Name

2-(2H-1,3-benzodioxol-5-yl)-N-(2-fluorophenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrimidin-4-amine

IUPAC name

2-(2H-13-benzodioxol-5-yl)-N-(2-fluorophenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrimidin-4-amine

SMILES

O=C(c1c(Nc(cccc2)c2F)nc(-c(cc2)cc3c2OCO3)nc1)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C28H23F2N5O3/c29-20-5-1-3-7-22(20)32-27-19(16-31-26(33-27)18-9-10-24-25(15-18)38-17-37-24)28(36)35-13-11-34(12-14-35)23-8-4-2-6-21(23)30/h1-10,15-16H,11-14,17H2,(H,31,32,33)

InChI Key

XSDYHECMNUFMTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19973550

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

515.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.284

Distribution Coefficient, logD

5.191

Water Solubility, LogSw

-5.42

Polar Surface Area

64.637

Acid Dissociation Constant (pKa)

14.48

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

V012-2726 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V012-2726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-2726?
Check Price and Availability of V012-2726, 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 V012-2726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-2726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-2726
  • 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 V012-2726 available by request