3486-0489 Screening compound: 4-({1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzoic acid

3486-0489 Screening compound: 4-({1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzoic acid
3486-0489 Screening compound: 4-({1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3486-0489
4-({1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzoic acid

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

3486-0489

Molecular Formula

C19H15N5O2 (C19 H15 N5 O2)

Compound Name

4-({1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzoic acid

IUPAC name

4-({1-benzyl-1H-pyrazolo[34-d]pyrimidin-4-yl}amino)benzoic acid

SMILES

OC(c(cc1)ccc1Nc1ncnc2c1cnn2Cc1ccccc1)=O

InChI

InChI=1S/C19H15N5O2/c25-19(26)14-6-8-15(9-7-14)23-17-16-10-22-24(18(16)21-12-20-17)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,25,26)(H,20,21,23)

InChI Key

UPDHHXUNXOCMQA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.563

Distribution Coefficient, logD

1.168

Water Solubility, LogSw

-3.44

Polar Surface Area

72.299

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with 3486-0489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3486-0489?
Check Price and Availability of 3486-0489, 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 3486-0489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3486-0489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3486-0489
  • 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 3486-0489 available by request