G786-1794 Screening compound: 2-({2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

G786-1794 Screening compound: 2-({2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
G786-1794 Screening compound: 2-({2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1794
2-({2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)-N-[2-(trifluoromethyl)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

G786-1794

Molecular Formula

C22H22F3N5O3S (C22 H22 F3 N5 O3 S)

Compound Name

2-({2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-({2-cyclopentyl-68-dimethyl-57-dioxo-5H6H7H8H-[13]diazino[45-d]pyrimidin-4-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

CN(c1c(C(N2C)=O)c(SCC(Nc3c(C(F)(F)F)cccc3)=O)nc(C3CCCC3)n1)C2=O

InChI

InChI=1S/C22H22F3N5O3S/c1-29-18-16(20(32)30(2)21(29)33)19(28-17(27-18)12-7-3-4-8-12)34-11-15(31)26-14-10-6-5-9-13(14)22(23,24)25/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,26,31)

InChI Key

GFMQEDBQCYNWRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05944145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.549

Distribution Coefficient, logD

4.549

Water Solubility, LogSw

-4.54

Polar Surface Area

73.794

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with G786-1794 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G786-1794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1794
  • 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 G786-1794 available by request