C650-0018 Screening compound: 9-(3-nitrophenyl)-2-(pentylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C650-0018 Screening compound: 9-(3-nitrophenyl)-2-(pentylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C650-0018 Screening compound: 9-(3-nitrophenyl)-2-(pentylsulfanyl)-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 C650-0018
9-(3-nitrophenyl)-2-(pentylsulfanyl)-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

C650-0018

Molecular Formula

C20H23N5O3S (C20 H23 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCCSc1nn(C(c2cc([N+]([O-])=O)ccc2)C(C(CCC2)=O)=C2N2)c2n1

InChI

InChI=1S/C20H23N5O3S/c1-2-3-4-11-29-20-22-19-21-15-9-6-10-16(26)17(15)18(24(19)23-20)13-7-5-8-14(12-13)25(27)28/h5,7-8,12,18H,2-4,6,9-11H2,1H3,(H,21,22,23)/t18-/m0/s1

InChI Key

LGHNMZNBWASIGR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD10486729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.107

Distribution Coefficient, logD

5.000

Water Solubility, LogSw

-4.96

Polar Surface Area

82.720

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

C650-0018 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C650-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C650-0018?
Check Price and Availability of C650-0018, 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 C650-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C650-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C650-0018
  • 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 C650-0018 available by request