E781-0597 Screening compound: 1-methyl-N4-(4-methylphenyl)-N6-(prop-2-en-1-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

E781-0597 Screening compound: 1-methyl-N4-(4-methylphenyl)-N6-(prop-2-en-1-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
E781-0597 Screening compound: 1-methyl-N4-(4-methylphenyl)-N6-(prop-2-en-1-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound E781-0597
1-methyl-N4-(4-methylphenyl)-N6-(prop-2-en-1-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-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

E781-0597

Molecular Formula

C16H18N6 (C16 H18 N6)

Compound Name

1-methyl-N4-(4-methylphenyl)-N6-(prop-2-en-1-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

IUPAC name

1-methyl-N4-(4-methylphenyl)-N6-(prop-2-en-1-yl)-1H-pyrazolo[34-d]pyrimidine-46-diamine

SMILES

Cc(cc1)ccc1Nc1c(cnn2C)c2nc(NCC=C)n1

InChI

InChI=1S/C16H18N6/c1-4-9-17-16-20-14(13-10-18-22(3)15(13)21-16)19-12-7-5-11(2)6-8-12/h4-8,10H,1,9H2,2-3H3,(H2,17,19,20,21)

InChI Key

VPPSQUVPWWXVQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06746182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.414

Distribution Coefficient, logD

3.410

Water Solubility, LogSw

-3.45

Polar Surface Area

54.692

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with E781-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E781-0597?
Check Price and Availability of E781-0597, 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 E781-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E781-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E781-0597
  • 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 E781-0597 available by request