C445-0020 Screening compound: 5-{[(4-tert-butylphenyl)methyl]sulfanyl}-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

C445-0020 Screening compound: 5-{[(4-tert-butylphenyl)methyl]sulfanyl}-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
C445-0020 Screening compound: 5-{[(4-tert-butylphenyl)methyl]sulfanyl}-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0020
5-{[(4-tert-butylphenyl)methyl]sulfanyl}-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

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

C445-0020

Molecular Formula

C23H26N4O2S (C23 H26 N4 O2 S)

Compound Name

5-{[(4-tert-butylphenyl)methyl]sulfanyl}-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

IUPAC name

5-{[(4-tert-butylphenyl)methyl]sulfanyl}-89-dimethoxy-2-methyl-[124]triazolo[15-c]quinazoline

SMILES

CC(C)(C)c1ccc(CSc2nc(cc(c(OC)c3)OC)c3c3nc(C)nn23)cc1

InChI

InChI=1S/C23H26N4O2S/c1-14-24-21-17-11-19(28-5)20(29-6)12-18(17)25-22(27(21)26-14)30-13-15-7-9-16(10-8-15)23(2,3)4/h7-12H,13H2,1-6H3

InChI Key

HZMXRPNURHYTJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03305428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.020

Distribution Coefficient, logD

4.976

Water Solubility, LogSw

-4.83

Polar Surface Area

44.942

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C445-0020 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C445-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0020?
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What is the minimum amount of C445-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0020
  • 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 C445-0020 available by request