S637-0435 Screening compound: N-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1-methyl-1H-pyrrole-2-carboxamide

S637-0435 Screening compound: N-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1-methyl-1H-pyrrole-2-carboxamide
S637-0435 Screening compound: N-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1-methyl-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S637-0435
N-{3-cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1-methyl-1H-pyrrole-2-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

S637-0435

Molecular Formula

C16H21N5O (C16 H21 N5 O)

Compound Name

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

IUPAC name

N-{3-cyclopropyl-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}-1-methyl-1H-pyrrole-2-carboxamide

SMILES

Cn1c(C(NC2CCn3c(C4CC4)nnc3CC2)=O)ccc1

InChI

InChI=1S/C16H21N5O/c1-20-9-2-3-13(20)16(22)17-12-6-7-14-18-19-15(11-4-5-11)21(14)10-8-12/h2-3,9,11-12H,4-8,10H2,1H3,(H,17,22)/t12-/m0/s1

InChI Key

JZQDNUREHUKKDN-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD29017412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.988

Distribution Coefficient, logD

1.832

Water Solubility, LogSw

-2.28

Polar Surface Area

52.149

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

S637-0435 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S637-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S637-0435?
Check Price and Availability of S637-0435, 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 S637-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S637-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S637-0435
  • 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 S637-0435 available by request