8018-7278 Screening compound: 2-(2-{4-[(4-chlorophenoxy)methyl]-1,3-dioxolan-2-yl}propan-2-yl)-1,4-dihydronaphthalene-1,4-dione

8018-7278 Screening compound: 2-(2-{4-[(4-chlorophenoxy)methyl]-1,3-dioxolan-2-yl}propan-2-yl)-1,4-dihydronaphthalene-1,4-dione
8018-7278 Screening compound: 2-(2-{4-[(4-chlorophenoxy)methyl]-1,3-dioxolan-2-yl}propan-2-yl)-1,4-dihydronaphthalene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7278
2-(2-{4-[(4-chlorophenoxy)methyl]-1,3-dioxolan-2-yl}propan-2-yl)-1,4-dihydronaphthalene-1,4-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

8018-7278

Molecular Formula

C23H21ClO5 (C23 H21 ClO5)

Compound Name

2-(2-{4-[(4-chlorophenoxy)methyl]-1,3-dioxolan-2-yl}propan-2-yl)-1,4-dihydronaphthalene-1,4-dione

IUPAC name

2-(2-{4-[(4-chlorophenoxy)methyl]-13-dioxolan-2-yl}propan-2-yl)-14-dihydronaphthalene-14-dione

SMILES

CC(C)(C1OC(COc(cc2)ccc2Cl)CO1)C(C(c1c2cccc1)=O)=CC2=O

InChI

InChI=1S/C23H21ClO5/c1-23(2,19-11-20(25)17-5-3-4-6-18(17)21(19)26)22-28-13-16(29-22)12-27-15-9-7-14(24)8-10-15/h3-11,16,22H,12-13H2,1-2H3

InChI Key

JCJSLEPZQOKZPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.785

Distribution Coefficient, logD

4.785

Water Solubility, LogSw

-4.90

Polar Surface Area

50.419

Acid Dissociation Constant (pKa)

26.50

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.40

8018-7278 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-7278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7278?
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What is the minimum amount of 8018-7278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7278
  • 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 8018-7278 available by request