S638-4483 Screening compound: N-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1,3-thiazole-4-carboxamide

S638-4483 Screening compound: N-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1,3-thiazole-4-carboxamide
S638-4483 Screening compound: N-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S638-4483
N-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-1,3-thiazole-4-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

S638-4483

Molecular Formula

C11H13N5O2S (C11 H13 N5 O2 S)

Compound Name

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

IUPAC name

N-{3-oxo-2H3H5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}-13-thiazole-4-carboxamide

SMILES

O=C(c1cscn1)NC(CCC1=NN2)CCN1C2=O

InChI

InChI=1S/C11H13N5O2S/c17-10(8-5-19-6-12-8)13-7-1-2-9-14-15-11(18)16(9)4-3-7/h5-7H,1-4H2,(H,13,17)(H,15,18)/t7-/m0/s1

InChI Key

OSRZOQSHMLMDEF-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD31962020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.620

Distribution Coefficient, logD

0.613

Water Solubility, LogSw

-2.02

Polar Surface Area

75.692

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

S638-4483 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with S638-4483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S638-4483?
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What is the minimum amount of S638-4483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S638-4483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S638-4483
  • 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 S638-4483 available by request