8009-6557 Screening compound: 1-[1-(4-chlorophenyl)-5-{3-[(2,6-dichlorophenyl)methoxy]phenyl}-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one

8009-6557 Screening compound: 1-[1-(4-chlorophenyl)-5-{3-[(2,6-dichlorophenyl)methoxy]phenyl}-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
8009-6557 Screening compound: 1-[1-(4-chlorophenyl)-5-{3-[(2,6-dichlorophenyl)methoxy]phenyl}-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6557
1-[1-(4-chlorophenyl)-5-{3-[(2,6-dichlorophenyl)methoxy]phenyl}-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]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

8009-6557

Molecular Formula

C30H24Cl3N3O2 (C30 H24 Cl3 N3 O2)

Compound Name

1-[1-(4-chlorophenyl)-5-{3-[(2,6-dichlorophenyl)methoxy]phenyl}-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one

IUPAC name

1-[1-(4-chlorophenyl)-5-{3-[(26-dichlorophenyl)methoxy]phenyl}-4-(4-methylphenyl)-45-dihydro-1H-124-triazol-3-yl]ethan-1-one

SMILES

CC(C(N(C1c2cccc(OCc(c(Cl)ccc3)c3Cl)c2)c2ccc(C)cc2)=NN1c(cc1)ccc1Cl)=O

InChI

InChI=1S/C30H24Cl3N3O2/c1-19-9-13-23(14-10-19)35-29(20(2)37)34-36(24-15-11-22(31)12-16-24)30(35)21-5-3-6-25(17-21)38-18-26-27(32)7-4-8-28(26)33/h3-17,30H,18H2,1-2H3/t30-/m0/s1

InChI Key

RMYYCFOTENVFAS-PMERELPUSA-N

MDL Number (MFCD)

MFCD01819517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.651

Distribution Coefficient, logD

8.651

Water Solubility, LogSw

-6.50

Polar Surface Area

37.911

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

8009-6557 in Drug Discovery

Included in Screening Libraries

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 8009-6557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6557?
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What is the minimum amount of 8009-6557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6557
  • 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 8009-6557 available by request