C155-0196 Screening compound: ethyl 2-(2-{3-methyl-2-[(4-methylcyclohexyl)formamido]butanamido}-1,3-thiazol-4-yl)acetate

C155-0196 Screening compound: ethyl 2-(2-{3-methyl-2-[(4-methylcyclohexyl)formamido]butanamido}-1,3-thiazol-4-yl)acetate
C155-0196 Screening compound: ethyl 2-(2-{3-methyl-2-[(4-methylcyclohexyl)formamido]butanamido}-1,3-thiazol-4-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C155-0196
ethyl 2-(2-{3-methyl-2-[(4-methylcyclohexyl)formamido]butanamido}-1,3-thiazol-4-yl)acetate

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

C155-0196

Molecular Formula

C20H31N3O4S (C20 H31 N3 O4 S)

Compound Name

ethyl 2-(2-{3-methyl-2-[(4-methylcyclohexyl)formamido]butanamido}-1,3-thiazol-4-yl)acetate

IUPAC name

ethyl 2-(2-{3-methyl-2-[(4-methylcyclohexyl)formamido]butanamido}-13-thiazol-4-yl)acetate

SMILES

CCOC(Cc1csc(NC(C(C(C)C)NC(C2CCC(C)CC2)=O)=O)n1)=O

InChI

InChI=1S/C20H31N3O4S/c1-5-27-16(24)10-15-11-28-20(21-15)23-19(26)17(12(2)3)22-18(25)14-8-6-13(4)7-9-14/h11-14,17H,5-10H2,1-4H3,(H,22,25)(H,21,23,26)/t13?,14?,17-/m0/s1

InChI Key

OTIWYRBODFPVNC-KVULBXGLSA-N

MDL Number (MFCD)

MFCD08673927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.299

Distribution Coefficient, logD

4.291

Water Solubility, LogSw

-4.01

Polar Surface Area

78.259

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

C155-0196 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with C155-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C155-0196?
Check Price and Availability of C155-0196, 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 C155-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C155-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C155-0196
  • 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 C155-0196 available by request