V004-8453 Screening compound: 5-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylpyrimidine

V004-8453 Screening compound: 5-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylpyrimidine
V004-8453 Screening compound: 5-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylpyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8453
5-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylpyrimidine

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

V004-8453

Molecular Formula

C24H24ClFN4O2 (C24 H24 ClFN4 O2)

Compound Name

5-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylpyrimidine

IUPAC name

5-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylpyrimidine

SMILES

Cc1nc(C2CC2)nc(N(CC2)CCN2C(c2ccco2)=O)c1Cc(c(F)ccc1)c1Cl

InChI

InChI=1S/C24H24ClFN4O2/c1-15-17(14-18-19(25)4-2-5-20(18)26)23(28-22(27-15)16-7-8-16)29-9-11-30(12-10-29)24(31)21-6-3-13-32-21/h2-6,13,16H,7-12,14H2,1H3

InChI Key

LLTQRUVHWQNPBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19786542

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.070

Distribution Coefficient, logD

4.504

Water Solubility, LogSw

-5.27

Polar Surface Area

47.787

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V004-8453 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with V004-8453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8453?
Check Price and Availability of V004-8453, 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 V004-8453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8453
  • 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 V004-8453 available by request