8008-7305 Screening compound: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate

8008-7305 Screening compound: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
8008-7305 Screening compound: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-7305
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate

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

8008-7305

Molecular Formula

C19H23NO2S2 (C19 H23 NO2 S2)

Compound Name

1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate

IUPAC name

177-trimethylbicyclo[2.2.1]heptan-2-yl 2-(13-benzothiazol-2-ylsulfanyl)acetate

SMILES

CC(C)(C(CC1)C2)C1(C)C2OC(CSc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C19H23NO2S2/c1-18(2)12-8-9-19(18,3)15(10-12)22-16(21)11-23-17-20-13-6-4-5-7-14(13)24-17/h4-7,12,15H,8-11H2,1-3H3

InChI Key

WJUFQEMJXSTCQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.043

Distribution Coefficient, logD

6.043

Water Solubility, LogSw

-5.43

Polar Surface Area

29.404

Acid Dissociation Constant (pKa)

20.65

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

57.90

8008-7305 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8008-7305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-7305?
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What is the minimum amount of 8008-7305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-7305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-7305
  • 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 8008-7305 available by request