S637-3123 Screening compound: 4-chloro-2-methoxy-N-methyl-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}benzamide

S637-3123 Screening compound: 4-chloro-2-methoxy-N-methyl-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}benzamide
S637-3123 Screening compound: 4-chloro-2-methoxy-N-methyl-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S637-3123
4-chloro-2-methoxy-N-methyl-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}benzamide

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

S637-3123

Molecular Formula

C17H21ClN4O2 (C17 H21 ClN4 O2)

Compound Name

4-chloro-2-methoxy-N-methyl-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}benzamide

IUPAC name

4-chloro-2-methoxy-N-methyl-N-{3-methyl-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}benzamide

SMILES

Cc1nnc(CC2)n1CCC2N(C)C(c(ccc(Cl)c1)c1OC)=O

InChI

InChI=1S/C17H21ClN4O2/c1-11-19-20-16-7-5-13(8-9-22(11)16)21(2)17(23)14-6-4-12(18)10-15(14)24-3/h4,6,10,13H,5,7-9H2,1-3H3/t13-/m0/s1

InChI Key

XEUGCLWBSNUWQJ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29017489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.992

Distribution Coefficient, logD

1.989

Water Solubility, LogSw

-2.99

Polar Surface Area

48.952

Acid Dissociation Constant (pKa)

19.98

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

S637-3123 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S637-3123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S637-3123?
Check Price and Availability of S637-3123, 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 S637-3123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S637-3123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S637-3123
  • 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 S637-3123 available by request