C254-0012 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-({8-oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl}sulfanyl)acetamide

C254-0012 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-({8-oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl}sulfanyl)acetamide
C254-0012 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-({8-oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C254-0012
N-(5-chloro-2-methoxyphenyl)-2-({8-oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl}sulfanyl)acetamide

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

C254-0012

Molecular Formula

C15H15ClN4O3S2 (C15 H15 ClN4 O3 S2)

Compound Name

N-(5-chloro-2-methoxyphenyl)-2-({8-oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl}sulfanyl)acetamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-({8-oxo-5H6H7H8H-[134]thiadiazolo[32-a][13]diazepin-2-yl}sulfanyl)acetamide

SMILES

COc(ccc(Cl)c1)c1NC(CSC(S1)=NN(CCC2)C1=NC2=O)=O

InChI

InChI=1S/C15H15ClN4O3S2/c1-23-11-5-4-9(16)7-10(11)17-13(22)8-24-15-19-20-6-2-3-12(21)18-14(20)25-15/h4-5,7H,2-3,6,8H2,1H3,(H,17,22)

InChI Key

FBJYXMQJIKNTJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04461047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.280

Distribution Coefficient, logD

2.277

Water Solubility, LogSw

-3.38

Polar Surface Area

69.729

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C254-0012 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C254-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C254-0012?
Check Price and Availability of C254-0012, 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 C254-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C254-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C254-0012
  • 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 C254-0012 available by request