G795-0916 Screening compound: 4-[(5-methyl-1,2-benzisothiazol-3-yl)carbonyl]-N~1~-[2-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide

G795-0916 Screening compound: 4-[(5-methyl-1,2-benzisothiazol-3-yl)carbonyl]-N~1~-[2-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide
G795-0916 Screening compound: 4-[(5-methyl-1,2-benzisothiazol-3-yl)carbonyl]-N~1~-[2-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G795-0916
4-[(5-methyl-1,2-benzisothiazol-3-yl)carbonyl]-N~1~-[2-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide

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

G795-0916

Molecular Formula

C21H19F3N4O2S (C21 H19 F3 N4 O2 S)

Compound Name

4-[(5-methyl-1,2-benzisothiazol-3-yl)carbonyl]-N~1~-[2-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

n/a

SMILES

Cc(cc1)cc2c1snc2C(N(CC1)CCN1C(Nc1c(C(F)(F)F)cccc1)=O)=O

InChI

InChI=1S/C21H19F3N4O2S/c1-13-6-7-17-14(12-13)18(26-31-17)19(29)27-8-10-28(11-9-27)20(30)25-16-5-3-2-4-15(16)21(22,23)24/h2-7,12H,8-11H2,1H3,(H,25,30)

InChI Key

KOLOFFNQYCXPOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15036407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.426

Distribution Coefficient, logD

4.426

Water Solubility, LogSw

-4.26

Polar Surface Area

52.456

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with G795-0916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G795-0916?
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What is the minimum amount of G795-0916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G795-0916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G795-0916
  • 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 G795-0916 available by request