V012-0129 Screening compound: 4-(2H-1,3-BENZODIOXOL-5-YL)-2-METHYL-6-[4-(OXOLANE-2-CARBONYL)PIPERAZIN-1-YL]-2H-PYRAZOLO[3,4-D]PYRIMIDIN-3-AMINE

V012-0129 Screening compound: 4-(2H-1,3-BENZODIOXOL-5-YL)-2-METHYL-6-[4-(OXOLANE-2-CARBONYL)PIPERAZIN-1-YL]-2H-PYRAZOLO[3,4-D]PYRIMIDIN-3-AMINE
V012-0129 Screening compound: 4-(2H-1,3-BENZODIOXOL-5-YL)-2-METHYL-6-[4-(OXOLANE-2-CARBONYL)PIPERAZIN-1-YL]-2H-PYRAZOLO[3,4-D]PYRIMIDIN-3-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0129
4-(2H-1,3-BENZODIOXOL-5-YL)-2-METHYL-6-[4-(OXOLANE-2-CARBONYL)PIPERAZIN-1-YL]-2H-PYRAZOLO[3,4-D]PYRIMIDIN-3-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

V012-0129

Molecular Formula

C22H25N7O4 (C22 H25 N7 O4)

Compound Name

4-(2H-1,3-BENZODIOXOL-5-YL)-2-METHYL-6-[4-(OXOLANE-2-CARBONYL)PIPERAZIN-1-YL]-2H-PYRAZOLO[3,4-D]PYRIMIDIN-3-AMINE

IUPAC name

n/a

SMILES

Cn(c(N)c12)nc2nc(N(CC2)CCN2C(C2OCCC2)=O)nc1-c(cc1)cc2c1OCO2

InChI

InChI=1S/C22H25N7O4/c1-27-19(23)17-18(13-4-5-14-16(11-13)33-12-32-14)24-22(25-20(17)26-27)29-8-6-28(7-9-29)21(30)15-3-2-10-31-15/h4-5,11,15H,2-3,6-10,12,23H2,1H3/t15-/m0/s1

InChI Key

VJSBNVIPPFELMO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14249781

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

451.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.614

Distribution Coefficient, logD

1.613

Water Solubility, LogSw

-2.17

Polar Surface Area

98.226

Acid Dissociation Constant (pKa)

20.14

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

V012-0129 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V012-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0129?
Check Price and Availability of V012-0129, 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 V012-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0129
  • 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 V012-0129 available by request