C650-0166 Screening compound: 4-({[9-(2-ethoxyphenyl)-8-oxo-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-2-yl]sulfanyl}methyl)benzoic acid

C650-0166 Screening compound: 4-({[9-(2-ethoxyphenyl)-8-oxo-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-2-yl]sulfanyl}methyl)benzoic acid
C650-0166 Screening compound: 4-({[9-(2-ethoxyphenyl)-8-oxo-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-2-yl]sulfanyl}methyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C650-0166
4-({[9-(2-ethoxyphenyl)-8-oxo-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-2-yl]sulfanyl}methyl)benzoic acid

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

C650-0166

Molecular Formula

C25H24N4O4S (C25 H24 N4 O4 S)

Compound Name

4-({[9-(2-ethoxyphenyl)-8-oxo-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-2-yl]sulfanyl}methyl)benzoic acid

IUPAC name

4-({[9-(2-ethoxyphenyl)-8-oxo-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-2-yl]sulfanyl}methyl)benzoic acid

SMILES

CCOc1c(C(C(C(CCC2)=O)=C2Nc2n3)n2nc3SCc(cc2)ccc2C(O)=O)cccc1

InChI

InChI=1S/C25H24N4O4S/c1-2-33-20-9-4-3-6-17(20)22-21-18(7-5-8-19(21)30)26-24-27-25(28-29(22)24)34-14-15-10-12-16(13-11-15)23(31)32/h3-4,6,9-13,22H,2,5,7-8,14H2,1H3,(H,31,32)(H,26,27,28)/t22-/m0/s1

InChI Key

OLYISTZGSZHYFV-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14779415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.733

Distribution Coefficient, logD

1.761

Water Solubility, LogSw

-4.33

Polar Surface Area

84.685

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

C650-0166 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Integrin Receptors Targeted library (1715 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C650-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C650-0166?
Check Price and Availability of C650-0166, 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 C650-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C650-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C650-0166
  • 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 C650-0166 available by request