CM4207-0949 Screening compound: 2-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide

CM4207-0949 Screening compound: 2-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
CM4207-0949 Screening compound: 2-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4207-0949
2-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-N-[2-(pyrrolidin-1-yl)ethyl]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

CM4207-0949

Molecular Formula

C18H29N5O (C18 H29 N5 O)

Compound Name

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

IUPAC name

2-{3-cyclopropyl-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide

SMILES

O=C(CC1CCn2c(C3CC3)nnc2CC1)NCCN1CCCC1

InChI

InChI=1S/C18H29N5O/c24-17(19-8-12-22-9-1-2-10-22)13-14-3-6-16-20-21-18(15-4-5-15)23(16)11-7-14/h14-15H,1-13H2,(H,19,24)/t14-/m0/s1

InChI Key

QKQPVOVQLZWXIY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD30467345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.059

Distribution Coefficient, logD

-1.097

Water Solubility, LogSw

-1.27

Polar Surface Area

54.176

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

83.33

CM4207-0949 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with CM4207-0949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4207-0949?
Check Price and Availability of CM4207-0949, 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 CM4207-0949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4207-0949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4207-0949
  • 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 CM4207-0949 available by request