CM4206-4495 Screening compound: 2-(cyclopropylmethyl)-7-[isobutyl(methyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one

CM4206-4495 Screening compound: 2-(cyclopropylmethyl)-7-[isobutyl(methyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
CM4206-4495 Screening compound: 2-(cyclopropylmethyl)-7-[isobutyl(methyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4206-4495
2-(cyclopropylmethyl)-7-[isobutyl(methyl)amino]-2,5,6,7,8,9-hexahydro-3H-[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

CM4206-4495

Molecular Formula

C16H28N4O (C16 H28 N4 O)

Compound Name

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

IUPAC name

n/a

SMILES

CC(C)CN(C)C(CCC1=NN2CC3CC3)CCN1C2=O

InChI

InChI=1S/C16H28N4O/c1-12(2)10-18(3)14-6-7-15-17-20(11-13-4-5-13)16(21)19(15)9-8-14/h12-14H,4-11H2,1-3H3/t14-/m1/s1

InChI Key

ZUVXPPPGEUPDBO-CQSZACIVSA-N

MDL Number (MFCD)

MFCD30458626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.700

Distribution Coefficient, logD

-0.985

Water Solubility, LogSw

-2.68

Polar Surface Area

36.906

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

11.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

87.50

References: we are preparing a list of scientific research reports with CM4206-4495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4206-4495?
Check Price and Availability of CM4206-4495, 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 CM4206-4495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4206-4495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4206-4495
  • 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 CM4206-4495 available by request