8007-4341 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide

8007-4341 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
8007-4341 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4341
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide

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

8007-4341

Molecular Formula

C30H27N3O4S2 (C30 H27 N3 O4 S2)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-({6-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-13-benzothiazol-2-yl}sulfanyl)acetamide

SMILES

COc(ccc(CCNC(CSc1nc(ccc(/N=C/c(c2ccccc2cc2)c2O)c2)c2s1)=O)c1)c1OC

InChI

InChI=1S/C30H27N3O4S2/c1-36-26-12-7-19(15-27(26)37-2)13-14-31-29(35)18-38-30-33-24-10-9-21(16-28(24)39-30)32-17-23-22-6-4-3-5-20(22)8-11-25(23)34/h3-12,15-17,34H,13-14,18H2,1-2H3,(H,31,35)

InChI Key

GNGVJGWNIYRITM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01230691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.202

Distribution Coefficient, logD

5.157

Water Solubility, LogSw

-5.80

Polar Surface Area

73.026

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8007-4341 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8007-4341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4341?
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What is the minimum amount of 8007-4341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4341
  • 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 8007-4341 available by request