S638-0901 Screening compound: 7-amino-2-(cyclopropylmethyl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-one

S638-0901 Screening compound: 7-amino-2-(cyclopropylmethyl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-one
S638-0901 Screening compound: 7-amino-2-(cyclopropylmethyl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S638-0901
7-amino-2-(cyclopropylmethyl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-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

S638-0901

Molecular Formula

C11H18N4O (C11 H18 N4 O)

Compound Name

7-amino-2-(cyclopropylmethyl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-one

IUPAC name

7-amino-2-(cyclopropylmethyl)-2H3H5H6H7H8H9H-[124]triazolo[43-a]azepin-3-one

SMILES

NC(CCC1=NN2CC3CC3)CCN1C2=O

InChI

InChI=1S/C11H18N4O/c12-9-3-4-10-13-15(7-8-1-2-8)11(16)14(10)6-5-9/h8-9H,1-7,12H2/t9-/m1/s1

InChI Key

OSHPGRCDWVSTSM-SECBINFHSA-N

MDL Number (MFCD)

MFCD22396852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.528

Distribution Coefficient, logD

-3.465

Water Solubility, LogSw

-0.48

Polar Surface Area

53.813

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

11.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.80

S638-0901 in Drug Discovery

Included in Screening Libraries

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

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 S638-0901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S638-0901?
Check Price and Availability of S638-0901, 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 S638-0901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S638-0901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S638-0901
  • 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 S638-0901 available by request