V013-4461 Screening compound: 2-methyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4-[4-(propan-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-3-amine

V013-4461 Screening compound: 2-methyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4-[4-(propan-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-3-amine
V013-4461 Screening compound: 2-methyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4-[4-(propan-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4461
2-methyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4-[4-(propan-2-yl)phenyl]-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

V013-4461

Molecular Formula

C24H31N7O2 (C24 H31 N7 O2)

Compound Name

2-methyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4-[4-(propan-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-3-amine

IUPAC name

2-methyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4-[4-(propan-2-yl)phenyl]-2H-pyrazolo[34-d]pyrimidin-3-amine

SMILES

CC(C)c(cc1)ccc1-c1nc(N(CC2)CCN2C(C2OCCC2)=O)nc2nn(C)c(N)c12

InChI

InChI=1S/C24H31N7O2/c1-15(2)16-6-8-17(9-7-16)20-19-21(25)29(3)28-22(19)27-24(26-20)31-12-10-30(11-13-31)23(32)18-5-4-14-33-18/h6-9,15,18H,4-5,10-14,25H2,1-3H3/t18-/m0/s1

InChI Key

NPRBAOXAGPSWOT-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14249956

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

449.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.943

Distribution Coefficient, logD

2.943

Water Solubility, LogSw

-3.33

Polar Surface Area

81.111

Acid Dissociation Constant (pKa)

20.14

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V013-4461 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V013-4461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4461?
Check Price and Availability of V013-4461, 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 V013-4461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4461
  • 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 V013-4461 available by request