K898-1268 Screening compound: 2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-dipropylacetamide

K898-1268 Screening compound: 2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-dipropylacetamide
K898-1268 Screening compound: 2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-dipropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K898-1268
2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-dipropylacetamide

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

K898-1268

Molecular Formula

C21H28N6O2S (C21 H28 N6 O2 S)

Compound Name

2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-dipropylacetamide

IUPAC name

2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}-NN-dipropylacetamide

SMILES

CCCN(CCC)C(CSC(N1c(cc2)ccc2OC)=Nc([nH]nc2C)c2C1=N)=O

InChI

InChI=1S/C21H28N6O2S/c1-5-11-26(12-6-2)17(28)13-30-21-23-20-18(14(3)24-25-20)19(22)27(21)15-7-9-16(29-4)10-8-15/h7-10,22H,5-6,11-13H2,1-4H3,(H,24,25)

InChI Key

VADQOLQQZFKFRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.768

Distribution Coefficient, logD

-1.501

Water Solubility, LogSw

-3.14

Polar Surface Area

76.496

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

11.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

K898-1268 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K898-1268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K898-1268?
Check Price and Availability of K898-1268, 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 K898-1268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K898-1268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K898-1268
  • 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 K898-1268 available by request