V015-4417 Screening compound: N6-benzyl-2-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

V015-4417 Screening compound: N6-benzyl-2-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
V015-4417 Screening compound: N6-benzyl-2-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-4417
N6-benzyl-2-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-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

V015-4417

Molecular Formula

C26H22Cl2N6O2 (C26 H22 Cl2 N6 O2)

Compound Name

N6-benzyl-2-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

IUPAC name

N6-benzyl-2-(34-dichlorophenyl)-4-(34-dimethoxyphenyl)-2H-pyrazolo[34-d]pyrimidine-36-diamine

SMILES

COc(ccc(-c(c1c2N)nc(NCc3ccccc3)nc1nn2-c(cc1)cc(Cl)c1Cl)c1)c1OC

InChI

InChI=1S/C26H22Cl2N6O2/c1-35-20-11-8-16(12-21(20)36-2)23-22-24(29)34(17-9-10-18(27)19(28)13-17)33-25(22)32-26(31-23)30-14-15-6-4-3-5-7-15/h3-13H,14,29H2,1-2H3,(H,30,32,33)

InChI Key

BRJSJSCNRJZXIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14248769

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

521.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.808

Distribution Coefficient, logD

5.806

Water Solubility, LogSw

-6.16

Polar Surface Area

80.071

Acid Dissociation Constant (pKa)

17.06

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

V015-4417 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 V015-4417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-4417?
Check Price and Availability of V015-4417, 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 V015-4417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-4417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-4417
  • 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 V015-4417 available by request