C202-2859 Screening compound: 9-(4-fluorophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C202-2859 Screening compound: 9-(4-fluorophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C202-2859 Screening compound: 9-(4-fluorophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-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 C202-2859
9-(4-fluorophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-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

C202-2859

Molecular Formula

C24H22F2N4OS (C24 H22 F2 N4 OS)

Compound Name

9-(4-fluorophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

9-(4-fluorophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-66-dimethyl-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CC(C)(C1)CC(Nc2nc(SCc(cccc3)c3F)nn2C2c(cc3)ccc3F)=C2C1=O

InChI

InChI=1S/C24H22F2N4OS/c1-24(2)11-18-20(19(31)12-24)21(14-7-9-16(25)10-8-14)30-22(27-18)28-23(29-30)32-13-15-5-3-4-6-17(15)26/h3-10,21H,11-13H2,1-2H3,(H,27,28,29)/t21-/m0/s1

InChI Key

XALNGZLEXFMSFO-NRFANRHFSA-N

MDL Number (MFCD)

MFCD08831489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.541

Distribution Coefficient, logD

5.402

Water Solubility, LogSw

-5.48

Polar Surface Area

49.067

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

C202-2859 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-2859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2859?
Check Price and Availability of C202-2859, 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 C202-2859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2859
  • 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 C202-2859 available by request