8011-1559 Screening compound: 1-(5-{2-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-1,4-diphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)-1-ethanone

8011-1559 Screening compound: 1-(5-{2-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-1,4-diphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)-1-ethanone
8011-1559 Screening compound: 1-(5-{2-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-1,4-diphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1559
1-(5-{2-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-1,4-diphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)-1-ethanone

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

8011-1559

Molecular Formula

C30H26ClN3O3 (C30 H26 ClN3 O3)

Compound Name

1-(5-{2-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-1,4-diphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)-1-ethanone

IUPAC name

1-(5-{2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-14-diphenyl-45-dihydro-1H-124-triazol-3-yl)ethan-1-one

SMILES

CC(C(N(C1c2cccc(OC)c2OCc(cccc2)c2Cl)c2ccccc2)=NN1c1ccccc1)=O

InChI

InChI=1S/C30H26ClN3O3/c1-21(35)29-32-34(24-15-7-4-8-16-24)30(33(29)23-13-5-3-6-14-23)25-17-11-19-27(36-2)28(25)37-20-22-12-9-10-18-26(22)31/h3-19,30H,20H2,1-2H3/t30-/m0/s1

InChI Key

YVDFCXRIRDNIMH-PMERELPUSA-N

MDL Number (MFCD)

MFCD02623369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.01

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.712

Distribution Coefficient, logD

6.712

Water Solubility, LogSw

-6.24

Polar Surface Area

45.714

Acid Dissociation Constant (pKa)

17.62

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.33

8011-1559 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-1559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1559?
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What is the minimum amount of 8011-1559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1559
  • 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 8011-1559 available by request