S637-3222 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-methyl-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}acetamide

S637-3222 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-methyl-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}acetamide
S637-3222 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-methyl-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S637-3222
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-methyl-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}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

S637-3222

Molecular Formula

C16H24N6O (C16 H24 N6 O)

Compound Name

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

IUPAC name

2-(35-dimethyl-1H-pyrazol-1-yl)-N-methyl-N-{3-methyl-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}acetamide

SMILES

Cc1cc(C)nn1CC(N(C)C(CC1)CCn2c1nnc2C)=O

InChI

InChI=1S/C16H24N6O/c1-11-9-12(2)22(19-11)10-16(23)20(4)14-5-6-15-18-17-13(3)21(15)8-7-14/h9,14H,5-8,10H2,1-4H3/t14-/m0/s1

InChI Key

FJVLZKVRBSQXOY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD31962432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.598

Distribution Coefficient, logD

-0.601

Water Solubility, LogSw

-0.46

Polar Surface Area

54.801

Acid Dissociation Constant (pKa)

19.98

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S637-3222 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S637-3222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S637-3222?
Check Price and Availability of S637-3222, 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 S637-3222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S637-3222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S637-3222
  • 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 S637-3222 available by request