S638-4829 Screening compound: 2-(1-cyclohexenyl)-N~1~-methyl-N~1~-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)acetamide

S638-4829 Screening compound: 2-(1-cyclohexenyl)-N~1~-methyl-N~1~-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)acetamide
S638-4829 Screening compound: 2-(1-cyclohexenyl)-N~1~-methyl-N~1~-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S638-4829
2-(1-cyclohexenyl)-N~1~-methyl-N~1~-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)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

S638-4829

Molecular Formula

C17H26N4O2 (C17 H26 N4 O2)

Compound Name

2-(1-cyclohexenyl)-N~1~-methyl-N~1~-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)acetamide

IUPAC name

n/a

SMILES

CN(C(CCC1=NN2C)CCN1C2=O)C(CC1=CCCCC1)=O

InChI

InChI=1S/C17H26N4O2/c1-19(16(22)12-13-6-4-3-5-7-13)14-8-9-15-18-20(2)17(23)21(15)11-10-14/h6,14H,3-5,7-12H2,1-2H3/t14-/m1/s1

InChI Key

UFZBLNNTGDMOBN-CQSZACIVSA-N

MDL Number (MFCD)

MFCD29013817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.859

Distribution Coefficient, logD

1.859

Water Solubility, LogSw

-1.79

Polar Surface Area

48.141

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.59

S638-4829 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S638-4829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S638-4829?
Check Price and Availability of S638-4829, 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 S638-4829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S638-4829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S638-4829
  • 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 S638-4829 available by request