4464-0976 Screening compound: tert-butyl N-{1-[(1-{[(hydrazinecarbonyl)methyl]carbamoyl}-3-(methylsulfanyl)propyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}carbamate

4464-0976 Screening compound: tert-butyl N-{1-[(1-{[(hydrazinecarbonyl)methyl]carbamoyl}-3-(methylsulfanyl)propyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}carbamate
4464-0976 Screening compound: tert-butyl N-{1-[(1-{[(hydrazinecarbonyl)methyl]carbamoyl}-3-(methylsulfanyl)propyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4464-0976
tert-butyl N-{1-[(1-{[(hydrazinecarbonyl)methyl]carbamoyl}-3-(methylsulfanyl)propyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}carbamate

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

4464-0976

Molecular Formula

C21H33N5O6S (C21 H33 N5 O6 S)

Compound Name

tert-butyl N-{1-[(1-{[(hydrazinecarbonyl)methyl]carbamoyl}-3-(methylsulfanyl)propyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}carbamate

IUPAC name

tert-butyl N-{1-[(1-{[(hydrazinecarbonyl)methyl]carbamoyl}-3-(methylsulfanyl)propyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}carbamate

SMILES

CC(C)(C)OC(NC(Cc(cc1)ccc1O)C(NC(CCSC)C(NCC(NN)=O)=O)=O)=O

InChI

InChI=1S/C21H33N5O6S/c1-21(2,3)32-20(31)25-16(11-13-5-7-14(27)8-6-13)19(30)24-15(9-10-33-4)18(29)23-12-17(28)26-22/h5-8,15-16,27H,9-12,22H2,1-4H3,(H,23,29)(H,24,30)(H,25,31)(H,26,28)

InChI Key

YOPNHDBLHYEXAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

7.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.065

Distribution Coefficient, logD

1.064

Water Solubility, LogSw

-1.93

Polar Surface Area

147.054

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.40

4464-0976 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4464-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4464-0976?
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What is the minimum amount of 4464-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4464-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4464-0976
  • 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 4464-0976 available by request