C650-0095 Screening compound: 9-(3-chlorophenyl)-2-(ethylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C650-0095 Screening compound: 9-(3-chlorophenyl)-2-(ethylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C650-0095 Screening compound: 9-(3-chlorophenyl)-2-(ethylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C650-0095
9-(3-chlorophenyl)-2-(ethylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-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

C650-0095

Molecular Formula

C17H17ClN4OS (C17 H17 ClN4 OS)

Compound Name

9-(3-chlorophenyl)-2-(ethylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

9-(3-chlorophenyl)-2-(ethylsulfanyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CCSc1nn(C(c2cccc(Cl)c2)C(C(CCC2)=O)=C2N2)c2n1

InChI

InChI=1S/C17H17ClN4OS/c1-2-24-17-20-16-19-12-7-4-8-13(23)14(12)15(22(16)21-17)10-5-3-6-11(18)9-10/h3,5-6,9,15H,2,4,7-8H2,1H3,(H,19,20,21)/t15-/m0/s1

InChI Key

IWQBNYVGBHCUCQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06193042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.139

Distribution Coefficient, logD

4.033

Water Solubility, LogSw

-4.43

Polar Surface Area

49.338

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

C650-0095 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C650-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C650-0095?
Check Price and Availability of C650-0095, 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 C650-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C650-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C650-0095
  • 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 C650-0095 available by request