Y200-5858 Screening compound: 4-{[4-(4-cyclohexylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}butanoic acid

Y200-5858 Screening compound: 4-{[4-(4-cyclohexylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}butanoic acid
Y200-5858 Screening compound: 4-{[4-(4-cyclohexylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-5858
4-{[4-(4-cyclohexylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}butanoic acid

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

Y200-5858

Molecular Formula

C24H29NO5S (C24 H29 NO5 S)

Compound Name

4-{[4-(4-cyclohexylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}butanoic acid

IUPAC name

4-{[4-(4-cyclohexylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}butanoic acid

SMILES

Cc(sc(NC(CCCC(O)=O)=O)c1C(OC)=O)c1-c1ccc(C2CCCCC2)cc1

InChI

InChI=1S/C24H29NO5S/c1-15-21(18-13-11-17(12-14-18)16-7-4-3-5-8-16)22(24(29)30-2)23(31-15)25-19(26)9-6-10-20(27)28/h11-14,16H,3-10H2,1-2H3,(H,25,26)(H,27,28)

InChI Key

HOOIIYMATITEKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02255241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.798

Distribution Coefficient, logD

2.201

Water Solubility, LogSw

-4.57

Polar Surface Area

72.389

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-6.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

Y200-5858 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with Y200-5858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-5858?
Check Price and Availability of Y200-5858, 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 Y200-5858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-5858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-5858
  • 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 Y200-5858 available by request