8009-1278 Screening compound: 1-[4-(3,4-dichlorophenyl)-5-[4-(dimethylamino)phenyl]-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one

8009-1278 Screening compound: 1-[4-(3,4-dichlorophenyl)-5-[4-(dimethylamino)phenyl]-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
8009-1278 Screening compound: 1-[4-(3,4-dichlorophenyl)-5-[4-(dimethylamino)phenyl]-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1278
1-[4-(3,4-dichlorophenyl)-5-[4-(dimethylamino)phenyl]-1-phenyl-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

8009-1278

Molecular Formula

C24H22Cl2N4O (C24 H22 Cl2 N4 O)

Compound Name

1-[4-(3,4-dichlorophenyl)-5-[4-(dimethylamino)phenyl]-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one

IUPAC name

1-[4-(34-dichlorophenyl)-5-[4-(dimethylamino)phenyl]-1-phenyl-45-dihydro-1H-124-triazol-3-yl]ethan-1-one

SMILES

CC(C(N(C1c(cc2)ccc2N(C)C)c(cc2)cc(Cl)c2Cl)=NN1c1ccccc1)=O

InChI

InChI=1S/C24H22Cl2N4O/c1-16(31)23-27-30(19-7-5-4-6-8-19)24(17-9-11-18(12-10-17)28(2)3)29(23)20-13-14-21(25)22(26)15-20/h4-15,24H,1-3H3/t24-/m0/s1

InChI Key

FMEQBRHMGCAQLG-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01420580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.403

Distribution Coefficient, logD

6.376

Water Solubility, LogSw

-6.34

Polar Surface Area

33.488

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8009-1278 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Cancer
Targets:
  • Others
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8009-1278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1278?
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What is the minimum amount of 8009-1278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1278
  • 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 8009-1278 available by request