S637-0656 Screening compound: N-[3-(methoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

S637-0656 Screening compound: N-[3-(methoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
S637-0656 Screening compound: N-[3-(methoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S637-0656
N-[3-(methoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2,4-dimethyl-1,3-thiazole-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

S637-0656

Molecular Formula

C15H21N5O2S (C15 H21 N5 O2 S)

Compound Name

N-[3-(methoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

IUPAC name

N-[3-(methoxymethyl)-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl]-24-dimethyl-13-thiazole-5-carboxamide

SMILES

Cc1c(C(NC(CC2)CCn3c2nnc3COC)=O)sc(C)n1

InChI

InChI=1S/C15H21N5O2S/c1-9-14(23-10(2)16-9)15(21)17-11-4-5-12-18-19-13(8-22-3)20(12)7-6-11/h11H,4-8H2,1-3H3,(H,17,21)/t11-/m0/s1

InChI Key

NAYAMZGNZWVFQM-NSHDSACASA-N

MDL Number (MFCD)

MFCD29017447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.659

Distribution Coefficient, logD

0.658

Water Solubility, LogSw

-1.69

Polar Surface Area

69.269

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S637-0656 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S637-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S637-0656?
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What is the minimum amount of S637-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S637-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S637-0656
  • 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 S637-0656 available by request