S636-1648 Screening compound: 7-(5-chlorothiophene-2-carbonyl)-2-(cyclopropylmethyl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one

S636-1648 Screening compound: 7-(5-chlorothiophene-2-carbonyl)-2-(cyclopropylmethyl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
S636-1648 Screening compound: 7-(5-chlorothiophene-2-carbonyl)-2-(cyclopropylmethyl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S636-1648
7-(5-chlorothiophene-2-carbonyl)-2-(cyclopropylmethyl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one

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

S636-1648

Molecular Formula

C15H17ClN4O2S (C15 H17 ClN4 O2 S)

Compound Name

7-(5-chlorothiophene-2-carbonyl)-2-(cyclopropylmethyl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one

IUPAC name

7-(5-chlorothiophene-2-carbonyl)-2-(cyclopropylmethyl)-2H3H5H6H7H8H9H-[124]triazolo[43-d][14]diazepin-3-one

SMILES

O=C(c(s1)ccc1Cl)N(CCC1=NN2CC3CC3)CCN1C2=O

InChI

InChI=1S/C15H17ClN4O2S/c16-12-4-3-11(23-12)14(21)18-6-5-13-17-20(9-10-1-2-10)15(22)19(13)8-7-18/h3-4,10H,1-2,5-9H2

InChI Key

KBCXZBMBSZUONL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29013533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.674

Distribution Coefficient, logD

2.673

Water Solubility, LogSw

-3.21

Polar Surface Area

51.514

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

S636-1648 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S636-1648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S636-1648?
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What is the minimum amount of S636-1648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S636-1648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S636-1648
  • 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 S636-1648 available by request