J084-0885 Screening compound: N-[1-(1H-1,3-benzodiazol-2-yl)ethyl]-2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide

J084-0885 Screening compound: N-[1-(1H-1,3-benzodiazol-2-yl)ethyl]-2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
J084-0885 Screening compound: N-[1-(1H-1,3-benzodiazol-2-yl)ethyl]-2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J084-0885
N-[1-(1H-1,3-benzodiazol-2-yl)ethyl]-2-{[5-(4-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

J084-0885

Molecular Formula

C27H23N7OS (C27 H23 N7 OS)

Compound Name

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

IUPAC name

N-[1-(1H-13-benzodiazol-2-yl)ethyl]-2-{[5-(4-methylphenyl)-[124]triazolo[43-c]quinazolin-3-yl]sulfanyl}acetamide

SMILES

CC(c1nc(cccc2)c2[nH]1)NC(CSc1nnc2n1c(-c1ccc(C)cc1)nc1c2cccc1)=O

InChI

InChI=1S/C27H23N7OS/c1-16-11-13-18(14-12-16)25-31-20-8-4-3-7-19(20)26-32-33-27(34(25)26)36-15-23(35)28-17(2)24-29-21-9-5-6-10-22(21)30-24/h3-14,17H,15H2,1-2H3,(H,28,35)(H,29,30)/t17-/m0/s1

InChI Key

YRKBGGLXACIJLZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD12965326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.797

Distribution Coefficient, logD

4.768

Water Solubility, LogSw

-4.71

Polar Surface Area

73.236

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with J084-0885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J084-0885?
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What is the minimum amount of J084-0885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J084-0885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J084-0885
  • 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 J084-0885 available by request