C099-0293 Screening compound: 2-{[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide

C099-0293 Screening compound: 2-{[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
C099-0293 Screening compound: 2-{[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C099-0293
2-{[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]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

C099-0293

Molecular Formula

C20H13F4N5O3S (C20 H13 F4 N5 O3 S)

Compound Name

2-{[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide

IUPAC name

2-{[1-(4-fluorophenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide

SMILES

O=C(CSC(N1)=Nc(n(-c(cc2)ccc2F)nc2)c2C1=O)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C20H13F4N5O3S/c21-11-1-5-13(6-2-11)29-17-15(9-25-29)18(31)28-19(27-17)33-10-16(30)26-12-3-7-14(8-4-12)32-20(22,23)24/h1-9H,10H2,(H,26,30)(H,27,28,31)

InChI Key

AOEVGRYTYOVPGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05023322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.330

Distribution Coefficient, logD

4.267

Water Solubility, LogSw

-4.31

Polar Surface Area

77.538

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with C099-0293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C099-0293?
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What is the minimum amount of C099-0293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C099-0293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C099-0293
  • 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 C099-0293 available by request