1493-0467 Screening compound: 4-(adamantan-1-yl)phenyl 4-(adamantan-2-yl)phenyl 2-(adamantan-1-yl)propanedioate

1493-0467 Screening compound: 4-(adamantan-1-yl)phenyl 4-(adamantan-2-yl)phenyl 2-(adamantan-1-yl)propanedioate
1493-0467 Screening compound: 4-(adamantan-1-yl)phenyl 4-(adamantan-2-yl)phenyl 2-(adamantan-1-yl)propanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1493-0467
4-(adamantan-1-yl)phenyl 4-(adamantan-2-yl)phenyl 2-(adamantan-1-yl)propanedioate

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

1493-0467

Molecular Formula

C45H54O4 (C45 H54 O4)

Compound Name

4-(adamantan-1-yl)phenyl 4-(adamantan-2-yl)phenyl 2-(adamantan-1-yl)propanedioate

IUPAC name

4-(adamantan-1-yl)phenyl 4-(adamantan-2-yl)phenyl 2-(adamantan-1-yl)propanedioate

SMILES

O=C(C(C1(CC(C2)C3)CC3CC2C1)C(Oc1ccc(C2(CC(C3)C4)CC4CC3C2)cc1)=O)Oc1ccc(C2C3CC(C4)CC2CC4C3)cc1

InChI

InChI=1S/C45H54O4/c46-42(48-38-5-1-34(2-6-38)40-35-16-26-9-27(18-35)19-36(40)17-26)41(45-23-31-13-32(24-45)15-33(14-31)25-45)43(47)49-39-7-3-37(4-8-39)44-20-28-10-29(21-44)12-30(11-28)22-44/h1-8,26-33,35-36,40-41H,9-25H2/t26?,27?,28?,29?,30?,31?,32?,33?,35?,36?,40?,41-,44?,45?/m0/s1

InChI Key

ILTGJVXVYDIUCA-FCCAGTRESA-N

MDL Number (MFCD)

MFCD02641412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

658.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

11.837

Distribution Coefficient, logD

11.837

Water Solubility, LogSw

-6.39

Polar Surface Area

40.551

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.90

1493-0467 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 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
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1493-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1493-0467?
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What is the minimum amount of 1493-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1493-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1493-0467
  • 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 1493-0467 available by request