4465-2465 Screening compound: benzyl 4-(2-{3-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanamido}-3-methylbutanamido)-4-carbamoylbutanoate

4465-2465 Screening compound: benzyl 4-(2-{3-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanamido}-3-methylbutanamido)-4-carbamoylbutanoate
4465-2465 Screening compound: benzyl 4-(2-{3-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanamido}-3-methylbutanamido)-4-carbamoylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4465-2465
benzyl 4-(2-{3-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanamido}-3-methylbutanamido)-4-carbamoylbutanoate

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

4465-2465

Molecular Formula

C38H48N4O8 (C38 H48 N4 O8)

Compound Name

benzyl 4-(2-{3-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanamido}-3-methylbutanamido)-4-carbamoylbutanoate

IUPAC name

benzyl 4-(2-{3-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanamido}-3-methylbutanamido)-4-carbamoylbutanoate

SMILES

CC(C)C(C(NC(CCC(OCc1ccccc1)=O)C(N)=O)=O)NC(C(Cc(cc1)ccc1OCc1ccccc1)NC(OC(C)(C)C)=O)=O

InChI

InChI=1S/C38H48N4O8/c1-25(2)33(36(46)40-30(34(39)44)20-21-32(43)49-24-28-14-10-7-11-15-28)42-35(45)31(41-37(47)50-38(3,4)5)22-26-16-18-29(19-17-26)48-23-27-12-8-6-9-13-27/h6-19,25,30-31,33H,20-24H2,1-5H3,(H2,39,44)(H,40,46)(H,41,47)(H,42,45)

InChI Key

RPZOOEMJUHWYHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02766822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

688.82

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

23.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.716

Distribution Coefficient, logD

5.716

Water Solubility, LogSw

-5.52

Polar Surface Area

141.646

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

39.50

4465-2465 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4465-2465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4465-2465?
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What is the minimum amount of 4465-2465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4465-2465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4465-2465
  • 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 4465-2465 available by request