C445-0086 Screening compound: 1-(4-bromophenyl)-2-({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one

C445-0086 Screening compound: 1-(4-bromophenyl)-2-({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
C445-0086 Screening compound: 1-(4-bromophenyl)-2-({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0086
1-(4-bromophenyl)-2-({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-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

C445-0086

Molecular Formula

C25H19BrN4O3S (C25 H19 BrN4 O3 S)

Compound Name

1-(4-bromophenyl)-2-({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one

IUPAC name

1-(4-bromophenyl)-2-({89-dimethoxy-2-phenyl-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)ethan-1-one

SMILES

COc(c(OC)c1)cc(c2nc(-c3ccccc3)nn22)c1nc2SCC(c(cc1)ccc1Br)=O

InChI

InChI=1S/C25H19BrN4O3S/c1-32-21-12-18-19(13-22(21)33-2)27-25(34-14-20(31)15-8-10-17(26)11-9-15)30-24(18)28-23(29-30)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3

InChI Key

WLCFHOQKSPUGQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.681

Distribution Coefficient, logD

5.674

Water Solubility, LogSw

-5.66

Polar Surface Area

58.305

Acid Dissociation Constant (pKa)

15.82

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C445-0086 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C445-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0086?
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What is the minimum amount of C445-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0086
  • 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 C445-0086 available by request