5554-0017 Screening compound: 1-(2-methylphenyl)-3-(2-{[(2-methylphenyl)carbamoyl][2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]amino}ethyl)urea

5554-0017 Screening compound: 1-(2-methylphenyl)-3-(2-{[(2-methylphenyl)carbamoyl][2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]amino}ethyl)urea
5554-0017 Screening compound: 1-(2-methylphenyl)-3-(2-{[(2-methylphenyl)carbamoyl][2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]amino}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5554-0017
1-(2-methylphenyl)-3-(2-{[(2-methylphenyl)carbamoyl][2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]amino}ethyl)urea

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

5554-0017

Molecular Formula

C30H42N4O3 (C30 H42 N4 O3)

Compound Name

1-(2-methylphenyl)-3-(2-{[(2-methylphenyl)carbamoyl][2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]amino}ethyl)urea

IUPAC name

3-(2-methylphenyl)-1-(2-{[(2-methylphenyl)carbamoyl]amino}ethyl)-1-[2-({177-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]urea

SMILES

CC(C)(C(CC1)C2)C1(C)C2OCCN(CCNC(Nc1c(C)cccc1)=O)C(Nc1c(C)cccc1)=O

InChI

InChI=1S/C30H42N4O3/c1-21-10-6-8-12-24(21)32-27(35)31-16-17-34(28(36)33-25-13-9-7-11-22(25)2)18-19-37-26-20-23-14-15-30(26,5)29(23,3)4/h6-13,23,26H,14-20H2,1-5H3,(H,33,36)(H2,31,32,35)

InChI Key

BKERYACZXKPAGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01949864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.701

Distribution Coefficient, logD

5.701

Water Solubility, LogSw

-5.32

Polar Surface Area

65.017

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

53.30

5554-0017 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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
  • 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 5554-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5554-0017?
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What is the minimum amount of 5554-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5554-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5554-0017
  • 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 5554-0017 available by request