V021-8890 Screening compound: 2-benzyl-N6-[(3-fluorophenyl)methyl]-4-(thiophen-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

V021-8890 Screening compound: 2-benzyl-N6-[(3-fluorophenyl)methyl]-4-(thiophen-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
V021-8890 Screening compound: 2-benzyl-N6-[(3-fluorophenyl)methyl]-4-(thiophen-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-8890
2-benzyl-N6-[(3-fluorophenyl)methyl]-4-(thiophen-2-yl)-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

V021-8890

Molecular Formula

C23H19FN6S (C23 H19 FN6 S)

Compound Name

2-benzyl-N6-[(3-fluorophenyl)methyl]-4-(thiophen-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

IUPAC name

2-benzyl-N6-[(3-fluorophenyl)methyl]-4-(thiophen-2-yl)-2H-pyrazolo[34-d]pyrimidine-36-diamine

SMILES

Nc1c2c(-c3cccs3)nc(NCc3cc(F)ccc3)nc2nn1Cc1ccccc1

InChI

InChI=1S/C23H19FN6S/c24-17-9-4-8-16(12-17)13-26-23-27-20(18-10-5-11-31-18)19-21(25)30(29-22(19)28-23)14-15-6-2-1-3-7-15/h1-12H,13-14,25H2,(H,26,28,29)

InChI Key

RUJXIJKWVWMGSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14248971

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.697

Distribution Coefficient, logD

4.697

Water Solubility, LogSw

-5.03

Polar Surface Area

65.693

Acid Dissociation Constant (pKa)

16.96

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

V021-8890 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V021-8890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-8890?
Check Price and Availability of V021-8890, 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 V021-8890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-8890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-8890
  • 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 V021-8890 available by request