C200-9318 Screening compound: N-(butan-2-yl)-2-[3-(3-methylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetamide

C200-9318 Screening compound: N-(butan-2-yl)-2-[3-(3-methylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetamide
C200-9318 Screening compound: N-(butan-2-yl)-2-[3-(3-methylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9318
N-(butan-2-yl)-2-[3-(3-methylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]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

C200-9318

Molecular Formula

C23H23N3O2S2 (C23 H23 N3 O2 S2)

Compound Name

N-(butan-2-yl)-2-[3-(3-methylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetamide

IUPAC name

N-(butan-2-yl)-2-[3-(3-methylphenyl)-5-oxo-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazolin-4-yl]acetamide

SMILES

CCC(C)NC(CN(C(N1c2c3cccc2)=C(c2cc(C)ccc2)SC1=S)C3=O)=O

InChI

InChI=1S/C23H23N3O2S2/c1-4-15(3)24-19(27)13-25-21-20(16-9-7-8-14(2)12-16)30-23(29)26(21)18-11-6-5-10-17(18)22(25)28/h5-12,15H,4,13H2,1-3H3,(H,24,27)/t15-/m0/s1

InChI Key

QIRUMHJGTYYNGQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD26962664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.374

Distribution Coefficient, logD

4.374

Water Solubility, LogSw

-4.32

Polar Surface Area

41.972

Acid Dissociation Constant (pKa)

16.41

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

C200-9318 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C200-9318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9318?
Check Price and Availability of C200-9318, 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 C200-9318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9318
  • 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 C200-9318 available by request