S637-0182 Screening compound: 1-(2-methoxyethyl)-2,5-dimethyl-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1H-pyrrole-3-carboxamide

S637-0182 Screening compound: 1-(2-methoxyethyl)-2,5-dimethyl-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1H-pyrrole-3-carboxamide
S637-0182 Screening compound: 1-(2-methoxyethyl)-2,5-dimethyl-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S637-0182
1-(2-methoxyethyl)-2,5-dimethyl-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1H-pyrrole-3-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

S637-0182

Molecular Formula

C18H27N5O2 (C18 H27 N5 O2)

Compound Name

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

IUPAC name

1-(2-methoxyethyl)-25-dimethyl-N-{3-methyl-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}-1H-pyrrole-3-carboxamide

SMILES

Cc1cc(C(NC(CC2)CCn3c2nnc3C)=O)c(C)n1CCOC

InChI

InChI=1S/C18H27N5O2/c1-12-11-16(13(2)22(12)9-10-25-4)18(24)19-15-5-6-17-21-20-14(3)23(17)8-7-15/h11,15H,5-10H2,1-4H3,(H,19,24)/t15-/m0/s1

InChI Key

ZPWIPNDVZCVXHF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29017385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.771

Distribution Coefficient, logD

0.768

Water Solubility, LogSw

-1.79

Polar Surface Area

60.772

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

S637-0182 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 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 S637-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S637-0182?
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What is the minimum amount of S637-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S637-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S637-0182
  • 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 S637-0182 available by request