V006-1111 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidin-3-amine

V006-1111 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidin-3-amine
V006-1111 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-1111
4-(2H-1,3-benzodioxol-5-yl)-2-methyl-6-[4-(2-phenylethyl)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

V006-1111

Molecular Formula

C25H27N7O2 (C25 H27 N7 O2)

Compound Name

4-(2H-1,3-benzodioxol-5-yl)-2-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidin-3-amine

IUPAC name

4-(2H-13-benzodioxol-5-yl)-2-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]-2H-pyrazolo[34-d]pyrimidin-3-amine

SMILES

Cn(c(N)c12)nc2nc(N2CCN(CCc3ccccc3)CC2)nc1-c(cc1)cc2c1OCO2

InChI

InChI=1S/C25H27N7O2/c1-30-23(26)21-22(18-7-8-19-20(15-18)34-16-33-19)27-25(28-24(21)29-30)32-13-11-31(12-14-32)10-9-17-5-3-2-4-6-17/h2-8,15H,9-14,16,26H2,1H3

InChI Key

RSDXMECZQVHFHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14249787

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

457.54

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

3.632

Distribution Coefficient, logD

3.438

Water Solubility, LogSw

-4.16

Polar Surface Area

76.877

Acid Dissociation Constant (pKa)

20.14

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

V006-1111 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V006-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-1111?
Check Price and Availability of V006-1111, 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 V006-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-1111
  • 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 V006-1111 available by request