G786-1786 Screening compound: 2-({2-butyl-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)-N,N-dimethyl-3-oxobutanamide

G786-1786 Screening compound: 2-({2-butyl-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)-N,N-dimethyl-3-oxobutanamide
G786-1786 Screening compound: 2-({2-butyl-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)-N,N-dimethyl-3-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1786
2-({2-butyl-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)-N,N-dimethyl-3-oxobutanamide

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

G786-1786

Molecular Formula

C18H25N5O4S (C18 H25 N5 O4 S)

Compound Name

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

IUPAC name

2-({2-butyl-68-dimethyl-57-dioxo-5H6H7H8H-[13]diazino[45-d]pyrimidin-4-yl}sulfanyl)-NN-dimethyl-3-oxobutanamide

SMILES

CCCCc1nc(N(C)C(N(C)C2=O)=O)c2c(SC(C(C)=O)C(N(C)C)=O)n1

InChI

InChI=1S/C18H25N5O4S/c1-7-8-9-11-19-14-12(16(25)23(6)18(27)22(14)5)15(20-11)28-13(10(2)24)17(26)21(3)4/h13H,7-9H2,1-6H3/t13-/m0/s1

InChI Key

LKUWMCOYGFGYTI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD05944065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.866

Distribution Coefficient, logD

1.823

Water Solubility, LogSw

-2.16

Polar Surface Area

82.145

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

G786-1786 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G786-1786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1786?
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What is the minimum amount of G786-1786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1786
  • 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 G786-1786 available by request