Y204-0585 Screening compound: N~1~-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-1-cyclohexanecarboxamide

Y204-0585 Screening compound: N~1~-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-1-cyclohexanecarboxamide
Y204-0585 Screening compound: N~1~-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y204-0585
N~1~-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-1-cyclohexanecarboxamide

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

Y204-0585

Molecular Formula

C16H17N3O3S (C16 H17 N3 O3 S)

Compound Name

N~1~-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-1-cyclohexanecarboxamide

IUPAC name

N-[4-(4-nitrophenyl)-13-thiazol-2-yl]cyclohexanecarboxamide

SMILES

[O-][N+](c(cc1)ccc1-c1csc(NC(C2CCCCC2)=O)n1)=O

InChI

InChI=1S/C16H17N3O3S/c20-15(12-4-2-1-3-5-12)18-16-17-14(10-23-16)11-6-8-13(9-7-11)19(21)22/h6-10,12H,1-5H2,(H,17,18,20)

InChI Key

KFFOYHGMFHDRJH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.746

Distribution Coefficient, logD

4.746

Water Solubility, LogSw

-4.72

Polar Surface Area

66.678

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

Y204-0585 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y204-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y204-0585?
Check Price and Availability of Y204-0585, 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 Y204-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y204-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y204-0585
  • 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 Y204-0585 available by request