D692-0470 Screening compound: 2-{[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

D692-0470 Screening compound: 2-{[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
D692-0470 Screening compound: 2-{[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D692-0470
2-{[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]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

D692-0470

Molecular Formula

C22H14F3N5O2S (C22 H14 F3 N5 O2 S)

Compound Name

2-{[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{[5-(furan-2-yl)-[124]triazolo[43-c]quinazolin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CSc1nnc2n1c(-c1ccco1)nc1c2cccc1)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C22H14F3N5O2S/c23-22(24,25)14-7-2-4-9-16(14)26-18(31)12-33-21-29-28-19-13-6-1-3-8-15(13)27-20(30(19)21)17-10-5-11-32-17/h1-11H,12H2,(H,26,31)

InChI Key

JIACOZIPMIAXPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

4.325

Water Solubility, LogSw

-4.51

Polar Surface Area

61.340

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with D692-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D692-0470?
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What is the minimum amount of D692-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D692-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D692-0470
  • 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 D692-0470 available by request