V013-4474 Screening compound: 2-benzyl-4-(3,4-dimethoxyphenyl)-N6-[2-(pyrrolidin-1-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

V013-4474 Screening compound: 2-benzyl-4-(3,4-dimethoxyphenyl)-N6-[2-(pyrrolidin-1-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
V013-4474 Screening compound: 2-benzyl-4-(3,4-dimethoxyphenyl)-N6-[2-(pyrrolidin-1-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4474
2-benzyl-4-(3,4-dimethoxyphenyl)-N6-[2-(pyrrolidin-1-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

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

V013-4474

Molecular Formula

C26H31N7O2 (C26 H31 N7 O2)

Compound Name

2-benzyl-4-(3,4-dimethoxyphenyl)-N6-[2-(pyrrolidin-1-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

IUPAC name

2-benzyl-4-(34-dimethoxyphenyl)-N6-[2-(pyrrolidin-1-yl)ethyl]-2H-pyrazolo[34-d]pyrimidine-36-diamine

SMILES

COc(ccc(-c1nc(NCCN2CCCC2)nc2nn(Cc3ccccc3)c(N)c12)c1)c1OC

InChI

InChI=1S/C26H31N7O2/c1-34-20-11-10-19(16-21(20)35-2)23-22-24(27)33(17-18-8-4-3-5-9-18)31-25(22)30-26(29-23)28-12-15-32-13-6-7-14-32/h3-5,8-11,16H,6-7,12-15,17,27H2,1-2H3,(H,28,30,31)

InChI Key

WVWDLTSMBATSNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14248750

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

473.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

1.115

Water Solubility, LogSw

-3.78

Polar Surface Area

84.125

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

9.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

V013-4474 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 V013-4474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4474?
Check Price and Availability of V013-4474, 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 V013-4474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4474
  • 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 V013-4474 available by request