CM3850-3914 Screening compound: N-(pentan-3-yl)-3-(propan-2-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide

CM3850-3914 Screening compound: N-(pentan-3-yl)-3-(propan-2-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
CM3850-3914 Screening compound: N-(pentan-3-yl)-3-(propan-2-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3850-3914
N-(pentan-3-yl)-3-(propan-2-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide

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

CM3850-3914

Molecular Formula

C16H28N4O (C16 H28 N4 O)

Compound Name

N-(pentan-3-yl)-3-(propan-2-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide

IUPAC name

N-(pentan-3-yl)-3-(propan-2-yl)-5H6H7H8H9H-[124]triazolo[43-a]azepine-5-carboxamide

SMILES

CCC(CC)NC(C1n2c(C(C)C)nnc2CCCC1)=O

InChI

InChI=1S/C16H28N4O/c1-5-12(6-2)17-16(21)13-9-7-8-10-14-18-19-15(11(3)4)20(13)14/h11-13H,5-10H2,1-4H3,(H,17,21)/t13-/m0/s1

InChI Key

MNZYLTNYFBSVBL-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD30458719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.991

Distribution Coefficient, logD

2.985

Water Solubility, LogSw

-3.11

Polar Surface Area

51.127

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.25

CM3850-3914 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with CM3850-3914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3850-3914?
Check Price and Availability of CM3850-3914, 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 CM3850-3914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3850-3914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3850-3914
  • 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 CM3850-3914 available by request