G786-1711 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6,8-dimethyl-5,7-dioxo-2-propyl-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)acetamide

G786-1711 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6,8-dimethyl-5,7-dioxo-2-propyl-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)acetamide
G786-1711 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6,8-dimethyl-5,7-dioxo-2-propyl-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1711
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6,8-dimethyl-5,7-dioxo-2-propyl-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)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

G786-1711

Molecular Formula

C21H23N5O5S (C21 H23 N5 O5 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-({68-dimethyl-57-dioxo-2-propyl-5H6H7H8H-[13]diazino[45-d]pyrimidin-4-yl}sulfanyl)acetamide

SMILES

CCCc1nc(N(C)C(N(C)C2=O)=O)c2c(SCC(NCc(cc2)cc3c2OCO3)=O)n1

InChI

InChI=1S/C21H23N5O5S/c1-4-5-15-23-18-17(20(28)26(3)21(29)25(18)2)19(24-15)32-10-16(27)22-9-12-6-7-13-14(8-12)31-11-30-13/h6-8H,4-5,9-11H2,1-3H3,(H,22,27)

InChI Key

IKYYGZNELQTPEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05900990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.070

Distribution Coefficient, logD

3.070

Water Solubility, LogSw

-3.29

Polar Surface Area

93.633

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G786-1711 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 G786-1711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1711?
Check Price and Availability of G786-1711, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G786-1711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1711
  • 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 G786-1711 available by request