K784-2200 Screening compound: 2-{[5-(3-chlorophenyl)-4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide

K784-2200 Screening compound: 2-{[5-(3-chlorophenyl)-4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
K784-2200 Screening compound: 2-{[5-(3-chlorophenyl)-4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-2200
2-{[5-(3-chlorophenyl)-4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide

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

K784-2200

Molecular Formula

C21H18ClN5O4S (C21 H18 ClN5 O4 S)

Compound Name

2-{[5-(3-chlorophenyl)-4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide

IUPAC name

2-{[5-(3-chlorophenyl)-4-oxo-2H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}-N-(24-dimethoxyphenyl)acetamide

SMILES

COc(cc1)cc(OC)c1NC(CSC(N1c2cccc(Cl)c2)=Nc2n[nH]cc2C1=O)=O

InChI

InChI=1S/C21H18ClN5O4S/c1-30-14-6-7-16(17(9-14)31-2)24-18(28)11-32-21-25-19-15(10-23-26-19)20(29)27(21)13-5-3-4-12(22)8-13/h3-10H,11H2,1-2H3,(H,23,26)(H,24,28)

InChI Key

IJEQXKCBWFQNLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04063381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.134

Distribution Coefficient, logD

3.134

Water Solubility, LogSw

-3.59

Polar Surface Area

87.052

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K784-2200 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K784-2200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-2200?
Check Price and Availability of K784-2200, 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 K784-2200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-2200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-2200
  • 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 K784-2200 available by request