0832-2758 Screening compound: 1-[(E)-{[4-(dodecyloxy)phenyl]methylidene}amino]-3-[3-(4-methylphenyl)adamantan-1-yl]urea

0832-2758 Screening compound: 1-[(E)-{[4-(dodecyloxy)phenyl]methylidene}amino]-3-[3-(4-methylphenyl)adamantan-1-yl]urea
0832-2758 Screening compound: 1-[(E)-{[4-(dodecyloxy)phenyl]methylidene}amino]-3-[3-(4-methylphenyl)adamantan-1-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0832-2758
1-[(E)-{[4-(dodecyloxy)phenyl]methylidene}amino]-3-[3-(4-methylphenyl)adamantan-1-yl]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

0832-2758

Molecular Formula

C37H53N3O2 (C37 H53 N3 O2)

Compound Name

1-[(E)-{[4-(dodecyloxy)phenyl]methylidene}amino]-3-[3-(4-methylphenyl)adamantan-1-yl]urea

IUPAC name

1-[(E)-{[4-(dodecyloxy)phenyl]methylidene}amino]-3-[3-(4-methylphenyl)adamantan-1-yl]urea

SMILES

CCCCCCCCCCCCOc1ccc(/C=N/NC(NC(CC(C2)C3)(CC2C2)CC23c2ccc(C)cc2)=O)cc1

InChI

InChI=1S/C37H53N3O2/c1-3-4-5-6-7-8-9-10-11-12-21-42-34-19-15-30(16-20-34)27-38-40-35(41)39-37-25-31-22-32(26-37)24-36(23-31,28-37)33-17-13-29(2)14-18-33/h13-20,27,31-32H,3-12,21-26,28H2,1-2H3,(H2,39,40,41)

InChI Key

HHBJKCPXKOXLTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

11.792

Distribution Coefficient, logD

11.792

Water Solubility, LogSw

-5.79

Polar Surface Area

52.930

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.20

0832-2758 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 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
  • 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 0832-2758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0832-2758?
Check Price and Availability of 0832-2758, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0832-2758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0832-2758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0832-2758
  • 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 0832-2758 available by request