8008-0925 Screening compound: N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-1-naphthamide

8008-0925 Screening compound: N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-1-naphthamide
8008-0925 Screening compound: N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-1-naphthamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-0925
N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-1-naphthamide

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

8008-0925

Molecular Formula

C24H23N3O2S2 (C24 H23 N3 O2 S2)

Compound Name

N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-1-naphthamide

IUPAC name

N-(2-{[(butylcarbamoyl)methyl]sulfanyl}-13-benzothiazol-6-yl)naphthalene-1-carboxamide

SMILES

CCCCNC(CSc1nc(ccc(NC(c2cccc3ccccc23)=O)c2)c2s1)=O

InChI

InChI=1S/C24H23N3O2S2/c1-2-3-13-25-22(28)15-30-24-27-20-12-11-17(14-21(20)31-24)26-23(29)19-10-6-8-16-7-4-5-9-18(16)19/h4-12,14H,2-3,13,15H2,1H3,(H,25,28)(H,26,29)

InChI Key

ADQFWYZKIPUZMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.426

Distribution Coefficient, logD

5.426

Water Solubility, LogSw

-6.32

Polar Surface Area

56.453

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.83

8008-0925 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-0925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-0925?
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What is the minimum amount of 8008-0925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-0925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-0925
  • 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 8008-0925 available by request