8015-8060 Screening compound: 4-(4-chlorophenyl)-7,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-2,5-dione

8015-8060 Screening compound: 4-(4-chlorophenyl)-7,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-2,5-dione
8015-8060 Screening compound: 4-(4-chlorophenyl)-7,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8060
4-(4-chlorophenyl)-7,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-2,5-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

8015-8060

Molecular Formula

C17H17ClO3 (C17 H17 ClO3)

Compound Name

4-(4-chlorophenyl)-7,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-2,5-dione

IUPAC name

4-(4-chlorophenyl)-77-dimethyl-345678-hexahydro-2H-1-benzopyran-25-dione

SMILES

CC(C)(C1)CC(OC(CC2c(cc3)ccc3Cl)=O)=C2C1=O

InChI

InChI=1S/C17H17ClO3/c1-17(2)8-13(19)16-12(7-15(20)21-14(16)9-17)10-3-5-11(18)6-4-10/h3-6,12H,7-9H2,1-2H3/t12-/m0/s1

InChI Key

GUFJCGMMWFBFRG-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00127500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.77

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

3.294

Distribution Coefficient, logD

3.294

Water Solubility, LogSw

-3.87

Polar Surface Area

33.683

Acid Dissociation Constant (pKa)

19.06

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

8015-8060 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8015-8060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8060?
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What is the minimum amount of 8015-8060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8060
  • 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 8015-8060 available by request