F994-0142 Screening compound: N-[2-({5,7-dimethyl-4,6-dioxo-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidin-2-yl}sulfonyl)-4-methylphenyl]acetamide

F994-0142 Screening compound: N-[2-({5,7-dimethyl-4,6-dioxo-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidin-2-yl}sulfonyl)-4-methylphenyl]acetamide
F994-0142 Screening compound: N-[2-({5,7-dimethyl-4,6-dioxo-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidin-2-yl}sulfonyl)-4-methylphenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F994-0142
N-[2-({5,7-dimethyl-4,6-dioxo-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidin-2-yl}sulfonyl)-4-methylphenyl]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

F994-0142

Molecular Formula

C16H17N5O5S (C16 H17 N5 O5 S)

Compound Name

N-[2-({5,7-dimethyl-4,6-dioxo-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidin-2-yl}sulfonyl)-4-methylphenyl]acetamide

IUPAC name

N-[2-({57-dimethyl-46-dioxo-2H4H5H6H7H-pyrazolo[34-d]pyrimidin-2-yl}sulfonyl)-4-methylphenyl]acetamide

SMILES

CC(Nc(ccc(C)c1)c1S(n(cc1C(N2C)=O)nc1N(C)C2=O)(=O)=O)=O

InChI

InChI=1S/C16H17N5O5S/c1-9-5-6-12(17-10(2)22)13(7-9)27(25,26)21-8-11-14(18-21)19(3)16(24)20(4)15(11)23/h5-8H,1-4H3,(H,17,22)

InChI Key

OVKNLSLYIGCTGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14973995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.478

Distribution Coefficient, logD

0.478

Water Solubility, LogSw

-2.36

Polar Surface Area

96.683

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F994-0142 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F994-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F994-0142?
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What is the minimum amount of F994-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F994-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F994-0142
  • 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 F994-0142 available by request