8002-0607 Screening compound: [5-({[4-(methylsulfanyl)-2-(phenylformamido)butanoyl]oxy}methyl)-2-phenyl-1,3-oxazol-4-yl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate

8002-0607 Screening compound: [5-({[4-(methylsulfanyl)-2-(phenylformamido)butanoyl]oxy}methyl)-2-phenyl-1,3-oxazol-4-yl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate
8002-0607 Screening compound: [5-({[4-(methylsulfanyl)-2-(phenylformamido)butanoyl]oxy}methyl)-2-phenyl-1,3-oxazol-4-yl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-0607
[5-({[4-(methylsulfanyl)-2-(phenylformamido)butanoyl]oxy}methyl)-2-phenyl-1,3-oxazol-4-yl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate

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

8002-0607

Molecular Formula

C35H37N3O7S2 (C35 H37 N3 O7 S2)

Compound Name

[5-({[4-(methylsulfanyl)-2-(phenylformamido)butanoyl]oxy}methyl)-2-phenyl-1,3-oxazol-4-yl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate

IUPAC name

[5-({[4-(methylsulfanyl)-2-(phenylformamido)butanoyl]oxy}methyl)-2-phenyl-13-oxazol-4-yl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate

SMILES

CSCCC(C(OCc1c(COC(C(CCSC)NC(c2ccccc2)=O)=O)oc(-c2ccccc2)n1)=O)NC(c1ccccc1)=O

InChI

InChI=1S/C35H37N3O7S2/c1-46-20-18-27(36-31(39)24-12-6-3-7-13-24)34(41)43-22-29-30(45-33(38-29)26-16-10-5-11-17-26)23-44-35(42)28(19-21-47-2)37-32(40)25-14-8-4-9-15-25/h3-17,27-28H,18-23H2,1-2H3,(H,36,39)(H,37,40)

InChI Key

BMRWWKDWQTXWCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

675.83

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

21.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.514

Distribution Coefficient, logD

4.514

Water Solubility, LogSw

-4.26

Polar Surface Area

108.455

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

8002-0607 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 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
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8002-0607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-0607?
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What is the minimum amount of 8002-0607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-0607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-0607
  • 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 8002-0607 available by request