G786-1743 Screening compound: 1,3-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

G786-1743 Screening compound: 1,3-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
G786-1743 Screening compound: 1,3-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1743
1,3-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

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

G786-1743

Molecular Formula

C20H21N5O3S (C20 H21 N5 O3 S)

Compound Name

1,3-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

IUPAC name

13-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-7-phenyl-1H2H3H4H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

CN(c1c(C(N2C)=O)c(SCC(N3CCCC3)=O)nc(-c3ccccc3)n1)C2=O

InChI

InChI=1S/C20H21N5O3S/c1-23-17-15(19(27)24(2)20(23)28)18(29-12-14(26)25-10-6-7-11-25)22-16(21-17)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3

InChI Key

OOPRHRMMKIRZMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05901442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.492

Distribution Coefficient, logD

3.492

Water Solubility, LogSw

-3.81

Polar Surface Area

67.542

Acid Dissociation Constant (pKa)

20.07

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G786-1743 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G786-1743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1743?
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What is the minimum amount of G786-1743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1743
  • 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 G786-1743 available by request