E781-0334 Screening compound: 2-(4-{4-[(4-chloro-2-methylphenyl)amino]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}piperazin-1-yl)ethan-1-ol

E781-0334 Screening compound: 2-(4-{4-[(4-chloro-2-methylphenyl)amino]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}piperazin-1-yl)ethan-1-ol
E781-0334 Screening compound: 2-(4-{4-[(4-chloro-2-methylphenyl)amino]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}piperazin-1-yl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound E781-0334
2-(4-{4-[(4-chloro-2-methylphenyl)amino]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}piperazin-1-yl)ethan-1-ol

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

E781-0334

Molecular Formula

C19H24ClN7O (C19 H24 ClN7 O)

Compound Name

2-(4-{4-[(4-chloro-2-methylphenyl)amino]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}piperazin-1-yl)ethan-1-ol

IUPAC name

2-(4-{4-[(4-chloro-2-methylphenyl)amino]-1-methyl-1H-pyrazolo[34-d]pyrimidin-6-yl}piperazin-1-yl)ethan-1-ol

SMILES

Cc(cc(cc1)Cl)c1Nc1nc(N2CCN(CCO)CC2)nc2c1cnn2C

InChI

InChI=1S/C19H24ClN7O/c1-13-11-14(20)3-4-16(13)22-17-15-12-21-25(2)18(15)24-19(23-17)27-7-5-26(6-8-27)9-10-28/h3-4,11-12,28H,5-10H2,1-2H3,(H,22,23,24)

InChI Key

QUBACAFWBVYYHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06746093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.429

Distribution Coefficient, logD

3.266

Water Solubility, LogSw

-3.50

Polar Surface Area

65.338

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

E781-0334 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E781-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E781-0334?
Check Price and Availability of E781-0334, 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 E781-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E781-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E781-0334
  • 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 E781-0334 available by request