S638-0543 Screening compound: 1-methyl-N-{2-methyl-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1H-pyrrole-2-carboxamide

S638-0543 Screening compound: 1-methyl-N-{2-methyl-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1H-pyrrole-2-carboxamide
S638-0543 Screening compound: 1-methyl-N-{2-methyl-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S638-0543
1-methyl-N-{2-methyl-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-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

S638-0543

Molecular Formula

C14H19N5O2 (C14 H19 N5 O2)

Compound Name

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

IUPAC name

1-methyl-N-{2-methyl-3-oxo-2H3H5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}-1H-pyrrole-2-carboxamide

SMILES

Cn1c(C(NC(CCC2=NN3C)CCN2C3=O)=O)ccc1

InChI

InChI=1S/C14H19N5O2/c1-17-8-3-4-11(17)13(20)15-10-5-6-12-16-18(2)14(21)19(12)9-7-10/h3-4,8,10H,5-7,9H2,1-2H3,(H,15,20)/t10-/m1/s1

InChI Key

JXPWHOANKPMNQJ-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD29017527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.408

Distribution Coefficient, logD

1.408

Water Solubility, LogSw

-1.67

Polar Surface Area

59.830

Acid Dissociation Constant (pKa)

15.39

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S638-0543 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S638-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S638-0543?
Check Price and Availability of S638-0543, 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 S638-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S638-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S638-0543
  • 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 S638-0543 available by request