8010-1088 Screening compound: 1-(7,8-dimethyl-3,5-dihydro-1H-2,4-benzodithiepin-3-yl)naphthalen-2-ol

8010-1088 Screening compound: 1-(7,8-dimethyl-3,5-dihydro-1H-2,4-benzodithiepin-3-yl)naphthalen-2-ol
8010-1088 Screening compound: 1-(7,8-dimethyl-3,5-dihydro-1H-2,4-benzodithiepin-3-yl)naphthalen-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1088
1-(7,8-dimethyl-3,5-dihydro-1H-2,4-benzodithiepin-3-yl)naphthalen-2-ol

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

8010-1088

Molecular Formula

C21H20OS2 (C21 H20 OS2)

Compound Name

1-(7,8-dimethyl-3,5-dihydro-1H-2,4-benzodithiepin-3-yl)naphthalen-2-ol

IUPAC name

1-(78-dimethyl-35-dihydro-1H-24-benzodithiepin-3-yl)naphthalen-2-ol

SMILES

Cc1cc(CSC(c(c2ccccc2cc2)c2O)SC2)c2cc1C

InChI

InChI=1S/C21H20OS2/c1-13-9-16-11-23-21(24-12-17(16)10-14(13)2)20-18-6-4-3-5-15(18)7-8-19(20)22/h3-10,21-22H,11-12H2,1-2H3

InChI Key

XNFQEPQAXDDBTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01830968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

6.581

Distribution Coefficient, logD

6.580

Water Solubility, LogSw

-6.78

Polar Surface Area

16.495

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

8010-1088 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-1088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1088?
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What is the minimum amount of 8010-1088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1088
  • 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 8010-1088 available by request