0590-0405 Screening compound: N~1~-{8-[(1-adamantylcarbonyl)amino]-6,12-diphenyldibenzo[b,f][1,5]diazocin-2-yl}-1-adamantanecarboxamide

0590-0405 Screening compound: N~1~-{8-[(1-adamantylcarbonyl)amino]-6,12-diphenyldibenzo[b,f][1,5]diazocin-2-yl}-1-adamantanecarboxamide
0590-0405 Screening compound: N~1~-{8-[(1-adamantylcarbonyl)amino]-6,12-diphenyldibenzo[b,f][1,5]diazocin-2-yl}-1-adamantanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0590-0405
N~1~-{8-[(1-adamantylcarbonyl)amino]-6,12-diphenyldibenzo[b,f][1,5]diazocin-2-yl}-1-adamantanecarboxamide

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

0590-0405

Molecular Formula

C48H48N4O2 (C48 H48 N4 O2)

Compound Name

N~1~-{8-[(1-adamantylcarbonyl)amino]-6,12-diphenyldibenzo[b,f][1,5]diazocin-2-yl}-1-adamantanecarboxamide

IUPAC name

N-[(2Z10Z)-14-(adamantane-1-amido)-311-diphenyl-210-diazatricyclo[10.4.0.0^{49}]hexadeca-1(16)2468101214-octaen-6-yl]adamantane-1-carboxamide

SMILES

O=C(C1(CC(C2)C3)CC3CC2C1)Nc(cc1)cc2c1/N=C(/c1ccccc1)\c(cc(cc1)NC(C3(CC(C4)C5)CC5CC4C3)=O)c1/N=C2/c1ccccc1

InChI

InChI=1S/C48H48N4O2/c53-45(47-23-29-15-30(24-47)17-31(16-29)25-47)49-37-11-13-41-39(21-37)43(35-7-3-1-4-8-35)51-42-14-12-38(22-40(42)44(52-41)36-9-5-2-6-10-36)50-46(54)48-26-32-18-33(27-48)20-34(19-32)28-48/h1-14,21-22,29-34H,15-20,23-28H2,(H,49,53)(H,50,54)

InChI Key

DCQBAFZRSGPVFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00186572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

712.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

9.997

Distribution Coefficient, logD

6.078

Water Solubility, LogSw

-6.29

Polar Surface Area

62.142

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

11.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

0590-0405 in Drug Discovery

Included in Screening Libraries

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:
  • 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 0590-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0590-0405?
Check Price and Availability of 0590-0405, 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 0590-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0590-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0590-0405
  • 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 0590-0405 available by request