8008-4830 Screening compound: N-(4-acetylphenyl)-2-[(5-{2-[4-({[5-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)piperazin-1-yl]acetamido}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

8008-4830 Screening compound: N-(4-acetylphenyl)-2-[(5-{2-[4-({[5-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)piperazin-1-yl]acetamido}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
8008-4830 Screening compound: N-(4-acetylphenyl)-2-[(5-{2-[4-({[5-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)piperazin-1-yl]acetamido}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4830
N-(4-acetylphenyl)-2-[(5-{2-[4-({[5-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)piperazin-1-yl]acetamido}-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

8008-4830

Molecular Formula

C32H34N10O6S4 (C32 H34 N10 O6 S4)

Compound Name

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

IUPAC name

N-(4-acetylphenyl)-2-[(5-{2-[4-({[5-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-134-thiadiazol-2-yl]carbamoyl}methyl)piperazin-1-yl]acetamido}-134-thiadiazol-2-yl)sulfanyl]acetamide

SMILES

CC(c(cc1)ccc1NC(CSc1nnc(NC(CN2CCN(CC(Nc3nnc(SCC(Nc(cc4)ccc4C(C)=O)=O)s3)=O)CC2)=O)s1)=O)=O

InChI

InChI=1S/C32H34N10O6S4/c1-19(43)21-3-7-23(8-4-21)33-27(47)17-49-31-39-37-29(51-31)35-25(45)15-41-11-13-42(14-12-41)16-26(46)36-30-38-40-32(52-30)50-18-28(48)34-24-9-5-22(6-10-24)20(2)44/h3-10H,11-18H2,1-2H3,(H,33,47)(H,34,48)(H,35,37,45)(H,36,38,46)

InChI Key

JFWXYKXRGGYPAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

782.95

Hydrogen Bond Acceptors Count

20.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

20.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

3.685

Distribution Coefficient, logD

3.683

Water Solubility, LogSw

-3.81

Polar Surface Area

173.031

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

8008-4830 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8008-4830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4830?
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What is the minimum amount of 8008-4830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4830
  • 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 8008-4830 available by request