J084-0651 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide

J084-0651 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
J084-0651 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J084-0651
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}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

J084-0651

Molecular Formula

C26H27N5OS (C26 H27 N5 OS)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[5-(3-methylphenyl)-[124]triazolo[43-c]quinazolin-3-yl]sulfanyl}acetamide

SMILES

Cc1cccc(-c(n23)nc(cccc4)c4c3nnc2SCC(NCCC2=CCCCC2)=O)c1

InChI

InChI=1S/C26H27N5OS/c1-18-8-7-11-20(16-18)24-28-22-13-6-5-12-21(22)25-29-30-26(31(24)25)33-17-23(32)27-15-14-19-9-3-2-4-10-19/h5-9,11-13,16H,2-4,10,14-15,17H2,1H3,(H,27,32)

InChI Key

UWRBDPMKCKHZPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.056

Distribution Coefficient, logD

5.043

Water Solubility, LogSw

-4.82

Polar Surface Area

54.815

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with J084-0651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J084-0651?
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What is the minimum amount of J084-0651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J084-0651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J084-0651
  • 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 J084-0651 available by request