S638-0907 Screening compound: N-[2-(cyclopropylmethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-3-(3-methoxyphenyl)propanamide

S638-0907 Screening compound: N-[2-(cyclopropylmethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-3-(3-methoxyphenyl)propanamide
S638-0907 Screening compound: N-[2-(cyclopropylmethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-3-(3-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S638-0907
N-[2-(cyclopropylmethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-3-(3-methoxyphenyl)propanamide

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

S638-0907

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

N-[2-(cyclopropylmethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-3-(3-methoxyphenyl)propanamide

IUPAC name

N-[2-(cyclopropylmethyl)-3-oxo-2H3H5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl]-3-(3-methoxyphenyl)propanamide

SMILES

COc1cccc(CCC(NC(CCC2=NN3CC4CC4)CCN2C3=O)=O)c1

InChI

InChI=1S/C21H28N4O3/c1-28-18-4-2-3-15(13-18)7-10-20(26)22-17-8-9-19-23-25(14-16-5-6-16)21(27)24(19)12-11-17/h2-4,13,16-17H,5-12,14H2,1H3,(H,22,26)/t17-/m1/s1

InChI Key

IFWZRXUDRXLESQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD29013747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.798

Distribution Coefficient, logD

2.792

Water Solubility, LogSw

-3.25

Polar Surface Area

65.316

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

S638-0907 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 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
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S638-0907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S638-0907?
Check Price and Availability of S638-0907, 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 S638-0907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S638-0907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S638-0907
  • 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 S638-0907 available by request