S636-0772 Screening compound: 2-METHYL-7-[3-(1H-1,2,3,4-TETRAAZOL-1-YL)PROPANOYL]-2,5,6,7,8,9-HEXAHYDRO-3H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPIN-3-ONE

S636-0772 Screening compound: 2-METHYL-7-[3-(1H-1,2,3,4-TETRAAZOL-1-YL)PROPANOYL]-2,5,6,7,8,9-HEXAHYDRO-3H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPIN-3-ONE
S636-0772 Screening compound: 2-METHYL-7-[3-(1H-1,2,3,4-TETRAAZOL-1-YL)PROPANOYL]-2,5,6,7,8,9-HEXAHYDRO-3H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPIN-3-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S636-0772
2-METHYL-7-[3-(1H-1,2,3,4-TETRAAZOL-1-YL)PROPANOYL]-2,5,6,7,8,9-HEXAHYDRO-3H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPIN-3-ONE

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

S636-0772

Molecular Formula

C11H16N8O2 (C11 H16 N8 O2)

Compound Name

2-METHYL-7-[3-(1H-1,2,3,4-TETRAAZOL-1-YL)PROPANOYL]-2,5,6,7,8,9-HEXAHYDRO-3H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPIN-3-ONE

IUPAC name

n/a

SMILES

CN1N=C(CCN(CC2)C(CCn3nnnc3)=O)N2C1=O

InChI

InChI=1S/C11H16N8O2/c1-16-11(21)19-7-6-17(4-2-9(19)13-16)10(20)3-5-18-8-12-14-15-18/h8H,2-7H2,1H3

InChI Key

HNPKHCFDMUDXDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29013615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.193

Distribution Coefficient, logD

-1.193

Water Solubility, LogSw

-0.08

Polar Surface Area

89.559

Acid Dissociation Constant (pKa)

22.37

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

S636-0772 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S636-0772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S636-0772?
Check Price and Availability of S636-0772, 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 S636-0772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S636-0772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S636-0772
  • 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 S636-0772 available by request