G873-0218 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1-(2-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

G873-0218 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1-(2-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
G873-0218 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1-(2-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G873-0218
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1-(2-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}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

G873-0218

Molecular Formula

C21H15ClF3N5O3S (C21 H15 ClF3 N5 O3 S)

Compound Name

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

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1-(2-methoxyphenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}acetamide

SMILES

COc(cccc1)c1-n1ncc(C(N2)=O)c1N=C2SCC(Nc(cc(C(F)(F)F)cc1)c1Cl)=O

InChI

InChI=1S/C21H15ClF3N5O3S/c1-33-16-5-3-2-4-15(16)30-18-12(9-26-30)19(32)29-20(28-18)34-10-17(31)27-14-8-11(21(23,24)25)6-7-13(14)22/h2-9H,10H2,1H3,(H,27,31)(H,28,29,32)

InChI Key

LMGZBUAALAGVKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08322857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.9

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

4.137

Distribution Coefficient, logD

4.074

Water Solubility, LogSw

-4.50

Polar Surface Area

78.233

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with G873-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G873-0218?
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What is the minimum amount of G873-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G873-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G873-0218
  • 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 G873-0218 available by request