S638-4317 Screening compound: 2-{7-amino-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}-N-(2-phenoxyethyl)acetamide

S638-4317 Screening compound: 2-{7-amino-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}-N-(2-phenoxyethyl)acetamide
S638-4317 Screening compound: 2-{7-amino-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}-N-(2-phenoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S638-4317
2-{7-amino-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}-N-(2-phenoxyethyl)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

S638-4317

Molecular Formula

C17H23N5O3 (C17 H23 N5 O3)

Compound Name

2-{7-amino-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}-N-(2-phenoxyethyl)acetamide

IUPAC name

2-{7-amino-3-oxo-2H3H5H6H7H8H9H-[124]triazolo[43-a]azepin-2-yl}-N-(2-phenoxyethyl)acetamide

SMILES

NC(CCC1=NN2CC(NCCOc3ccccc3)=O)CCN1C2=O

InChI

InChI=1S/C17H23N5O3/c18-13-6-7-15-20-22(17(24)21(15)10-8-13)12-16(23)19-9-11-25-14-4-2-1-3-5-14/h1-5,13H,6-12,18H2,(H,19,23)/t13-/m1/s1

InChI Key

GGULZQNQIJMAIN-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD29017564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.526

Distribution Coefficient, logD

-3.467

Water Solubility, LogSw

-1.80

Polar Surface Area

85.021

Acid Dissociation Constant (pKa)

15.35

Base Dissociation Constant (pKb)

11.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

References: we are preparing a list of scientific research reports with S638-4317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S638-4317?
Check Price and Availability of S638-4317, 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 S638-4317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S638-4317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S638-4317
  • 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 S638-4317 available by request