F994-0344 Screening compound: 2-(3-chloro-2-methylbenzenesulfonyl)-5,7-bis(propan-2-yl)-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione

F994-0344 Screening compound: 2-(3-chloro-2-methylbenzenesulfonyl)-5,7-bis(propan-2-yl)-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
F994-0344 Screening compound: 2-(3-chloro-2-methylbenzenesulfonyl)-5,7-bis(propan-2-yl)-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F994-0344
2-(3-chloro-2-methylbenzenesulfonyl)-5,7-bis(propan-2-yl)-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione

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

F994-0344

Molecular Formula

C18H21ClN4O4S (C18 H21 ClN4 O4 S)

Compound Name

2-(3-chloro-2-methylbenzenesulfonyl)-5,7-bis(propan-2-yl)-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione

IUPAC name

2-(3-chloro-2-methylbenzenesulfonyl)-57-bis(propan-2-yl)-2H4H5H6H7H-pyrazolo[34-d]pyrimidine-46-dione

SMILES

CC(C)N(c(c(C(N1C(C)C)=O)c2)nn2S(c2cccc(Cl)c2C)(=O)=O)C1=O

InChI

InChI=1S/C18H21ClN4O4S/c1-10(2)22-16-13(17(24)23(11(3)4)18(22)25)9-21(20-16)28(26,27)15-8-6-7-14(19)12(15)5/h6-11H,1-5H3

InChI Key

BWEHMHQSJGHIOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14974046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.91

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.447

Distribution Coefficient, logD

3.447

Water Solubility, LogSw

-3.77

Polar Surface Area

74.029

Acid Dissociation Constant (pKa)

23.92

Base Dissociation Constant (pKb)

-8.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with F994-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F994-0344?
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What is the minimum amount of F994-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F994-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F994-0344
  • 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 F994-0344 available by request