E781-0252 Screening compound: 3-({4-[(3-chloro-4-methoxyphenyl)amino]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)propan-1-ol

E781-0252 Screening compound: 3-({4-[(3-chloro-4-methoxyphenyl)amino]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)propan-1-ol
E781-0252 Screening compound: 3-({4-[(3-chloro-4-methoxyphenyl)amino]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound E781-0252
3-({4-[(3-chloro-4-methoxyphenyl)amino]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)propan-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

E781-0252

Molecular Formula

C16H19ClN6O2 (C16 H19 ClN6 O2)

Compound Name

3-({4-[(3-chloro-4-methoxyphenyl)amino]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)propan-1-ol

IUPAC name

3-({4-[(3-chloro-4-methoxyphenyl)amino]-1-methyl-1H-pyrazolo[34-d]pyrimidin-6-yl}amino)propan-1-ol

SMILES

Cn1ncc2c1nc(NCCCO)nc2Nc(cc1)cc(Cl)c1OC

InChI

InChI=1S/C16H19ClN6O2/c1-23-15-11(9-19-23)14(21-16(22-15)18-6-3-7-24)20-10-4-5-13(25-2)12(17)8-10/h4-5,8-9,24H,3,6-7H2,1-2H3,(H2,18,20,21,22)

InChI Key

SBZHADPIEZTGRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06708169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.82

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

2.352

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-3.13

Polar Surface Area

78.978

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

E781-0252 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E781-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E781-0252?
Check Price and Availability of E781-0252, 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 E781-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E781-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E781-0252
  • 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 E781-0252 available by request