8004-7435 Screening compound: N-(naphthalen-1-yl)-2-{[5-({[(naphthalen-1-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide

8004-7435 Screening compound: N-(naphthalen-1-yl)-2-{[5-({[(naphthalen-1-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
8004-7435 Screening compound: N-(naphthalen-1-yl)-2-{[5-({[(naphthalen-1-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-7435
N-(naphthalen-1-yl)-2-{[5-({[(naphthalen-1-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-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

8004-7435

Molecular Formula

C26H20N4O2S3 (C26 H20 N4 O2 S3)

Compound Name

N-(naphthalen-1-yl)-2-{[5-({[(naphthalen-1-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide

IUPAC name

N-(naphthalen-1-yl)-2-{[5-({[(naphthalen-1-yl)carbamoyl]methyl}sulfanyl)-134-thiadiazol-2-yl]sulfanyl}acetamide

SMILES

O=C(CSc1nnc(SCC(Nc2cccc3ccccc23)=O)s1)Nc1cccc2ccccc12

InChI

InChI=1S/C26H20N4O2S3/c31-23(27-21-13-5-9-17-7-1-3-11-19(17)21)15-33-25-29-30-26(35-25)34-16-24(32)28-22-14-6-10-18-8-2-4-12-20(18)22/h1-14H,15-16H2,(H,27,31)(H,28,32)

InChI Key

WCHNJVOUMQJZNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00746479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.076

Distribution Coefficient, logD

5.076

Water Solubility, LogSw

-5.74

Polar Surface Area

66.281

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8004-7435 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 8004-7435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-7435?
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What is the minimum amount of 8004-7435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-7435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-7435
  • 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 8004-7435 available by request