1751-0078 Screening compound: 9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

1751-0078 Screening compound: 9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione
1751-0078 Screening compound: 9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1751-0078
9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

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

1751-0078

Molecular Formula

C19H16Cl2O3 (C19 H16 Cl2 O3)

Compound Name

9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

IUPAC name

9-(24-dichlorophenyl)-23456789-octahydro-1H-xanthene-18-dione

SMILES

O=C(CCC1)C(C2c(ccc(Cl)c3)c3Cl)=C1OC(CCC1)=C2C1=O

InChI

InChI=1S/C19H16Cl2O3/c20-10-7-8-11(12(21)9-10)17-18-13(22)3-1-5-15(18)24-16-6-2-4-14(23)19(16)17/h7-9,17H,1-6H2

InChI Key

VBZXNTVNEBIVFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00852921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.544

Distribution Coefficient, logD

4.544

Water Solubility, LogSw

-4.56

Polar Surface Area

33.397

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

1751-0078 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1751-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1751-0078?
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What is the minimum amount of 1751-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1751-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1751-0078
  • 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 1751-0078 available by request