V030-5995 Screening compound: 1-(2-chloro-4-nitrobenzoyl)-4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine

V030-5995 Screening compound: 1-(2-chloro-4-nitrobenzoyl)-4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine
V030-5995 Screening compound: 1-(2-chloro-4-nitrobenzoyl)-4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5995
1-(2-chloro-4-nitrobenzoyl)-4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine

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

V030-5995

Molecular Formula

C26H25ClFN7O3 (C26 H25 ClFN7 O3)

Compound Name

1-(2-chloro-4-nitrobenzoyl)-4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine

IUPAC name

1-(2-chloro-4-nitrobenzoyl)-4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[34-d]pyrimidin-4-yl]piperazine

SMILES

CCCc1nc(n(-c(cc2)ccc2F)nc2C)c2c(N(CC2)CCN2C(c(ccc([N+]([O-])=O)c2)c2Cl)=O)n1

InChI

InChI=1S/C26H25ClFN7O3/c1-3-4-22-29-24(23-16(2)31-34(25(23)30-22)18-7-5-17(28)6-8-18)32-11-13-33(14-12-32)26(36)20-10-9-19(35(37)38)15-21(20)27/h5-10,15H,3-4,11-14H2,1-2H3

InChI Key

VLMDXSZZIXNCIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862302

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

537.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.130

Distribution Coefficient, logD

4.687

Water Solubility, LogSw

-5.56

Polar Surface Area

87.803

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V030-5995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5995?
Check Price and Availability of V030-5995, 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 V030-5995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5995
  • 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 V030-5995 available by request