K405-3671 Screening compound: 2-{[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethan-1-ol

K405-3671 Screening compound: 2-{[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethan-1-ol
K405-3671 Screening compound: 2-{[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-3671
2-{[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}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

K405-3671

Molecular Formula

C13H12ClN5O (C13 H12 ClN5 O)

Compound Name

2-{[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethan-1-ol

IUPAC name

2-{[1-(3-chlorophenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]amino}ethan-1-ol

SMILES

OCCNc1c(cnn2-c3cccc(Cl)c3)c2ncn1

InChI

InChI=1S/C13H12ClN5O/c14-9-2-1-3-10(6-9)19-13-11(7-18-19)12(15-4-5-20)16-8-17-13/h1-3,6-8,20H,4-5H2,(H,15,16,17)

InChI Key

RBNFPAKMOJQUIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05956710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.72

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.483

Distribution Coefficient, logD

2.483

Water Solubility, LogSw

-2.87

Polar Surface Area

62.118

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

K405-3671 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with K405-3671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-3671?
Check Price and Availability of K405-3671, 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 K405-3671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-3671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-3671
  • 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 K405-3671 available by request