Y500-5523 Screening compound: N-[3-(6-{3-[(1-adamantylcarbonyl)amino]phenyl}[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-1-adamantanecarboxamide

Y500-5523 Screening compound: N-[3-(6-{3-[(1-adamantylcarbonyl)amino]phenyl}[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-1-adamantanecarboxamide
Y500-5523 Screening compound: N-[3-(6-{3-[(1-adamantylcarbonyl)amino]phenyl}[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-1-adamantanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-5523
N-[3-(6-{3-[(1-adamantylcarbonyl)amino]phenyl}[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-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

Y500-5523

Molecular Formula

C42H42N4O2S2 (C42 H42 N4 O2 S2)

Compound Name

N-[3-(6-{3-[(1-adamantylcarbonyl)amino]phenyl}[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-1-adamantanecarboxamide

IUPAC name

N-(3-{11-[3-(adamantane-1-amido)phenyl]-410-dithia-612-diazatricyclo[7.3.0.0^{37}]dodeca-13(7)5811-pentaen-5-yl}phenyl)adamantane-1-carboxamide

SMILES

O=C(C1(CC(C2)C3)CC3CC2C1)Nc1cccc(-c(sc2c3)nc2cc2c3nc(-c3cc(NC(C4(CC(C5)C6)CC6CC5C4)=O)ccc3)s2)c1

InChI

InChI=1S/C42H42N4O2S2/c47-39(41-17-23-7-24(18-41)9-25(8-23)19-41)43-31-5-1-3-29(13-31)37-45-33-15-36-34(16-35(33)49-37)46-38(50-36)30-4-2-6-32(14-30)44-40(48)42-20-26-10-27(21-42)12-28(11-26)22-42/h1-6,13-16,23-28H,7-12,17-22H2,(H,43,47)(H,44,48)

InChI Key

RERTUMQUKKMHQU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

698.95

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

11.904

Distribution Coefficient, logD

11.904

Water Solubility, LogSw

-6.24

Polar Surface Area

65.385

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

Y500-5523 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • 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 Y500-5523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-5523?
Check Price and Availability of Y500-5523, 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 Y500-5523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-5523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-5523
  • 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 Y500-5523 available by request