G786-1791 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-(2,4-dimethylphenyl)acetamide

G786-1791 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-(2,4-dimethylphenyl)acetamide
G786-1791 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-(2,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1791
2-({2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)-N-(2,4-dimethylphenyl)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

G786-1791

Molecular Formula

C23H27N5O3S (C23 H27 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-(2,4-dimethylphenyl)acetamide

IUPAC name

2-({2-cyclopentyl-68-dimethyl-57-dioxo-5H6H7H8H-[13]diazino[45-d]pyrimidin-4-yl}sulfanyl)-N-(24-dimethylphenyl)acetamide

SMILES

Cc(cc1)cc(C)c1NC(CSc1nc(C2CCCC2)nc(N(C)C(N2C)=O)c1C2=O)=O

InChI

InChI=1S/C23H27N5O3S/c1-13-9-10-16(14(2)11-13)24-17(29)12-32-21-18-20(27(3)23(31)28(4)22(18)30)25-19(26-21)15-7-5-6-8-15/h9-11,15H,5-8,12H2,1-4H3,(H,24,29)

InChI Key

LQBJCEIUMUBLRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05944126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.516

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-4.38

Polar Surface Area

73.794

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

G786-1791 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G786-1791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1791?
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What is the minimum amount of G786-1791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1791
  • 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 G786-1791 available by request