C155-0301 Screening compound: ethyl 2-{2-[2-(cyclohexylformamido)-3-phenylpropanamido]-1,3-thiazol-4-yl}acetate

C155-0301 Screening compound: ethyl 2-{2-[2-(cyclohexylformamido)-3-phenylpropanamido]-1,3-thiazol-4-yl}acetate
C155-0301 Screening compound: ethyl 2-{2-[2-(cyclohexylformamido)-3-phenylpropanamido]-1,3-thiazol-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C155-0301
ethyl 2-{2-[2-(cyclohexylformamido)-3-phenylpropanamido]-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

C155-0301

Molecular Formula

C23H29N3O4S (C23 H29 N3 O4 S)

Compound Name

ethyl 2-{2-[2-(cyclohexylformamido)-3-phenylpropanamido]-1,3-thiazol-4-yl}acetate

IUPAC name

ethyl 2-{2-[2-(cyclohexylformamido)-3-phenylpropanamido]-13-thiazol-4-yl}acetate

SMILES

CCOC(Cc1csc(NC(C(Cc2ccccc2)NC(C2CCCCC2)=O)=O)n1)=O

InChI

InChI=1S/C23H29N3O4S/c1-2-30-20(27)14-18-15-31-23(24-18)26-22(29)19(13-16-9-5-3-6-10-16)25-21(28)17-11-7-4-8-12-17/h3,5-6,9-10,15,17,19H,2,4,7-8,11-14H2,1H3,(H,25,28)(H,24,26,29)/t19-/m0/s1

InChI Key

OFSKAARAXKHQHQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14723291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.078

Distribution Coefficient, logD

4.066

Water Solubility, LogSw

-4.06

Polar Surface Area

78.266

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

C155-0301 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C155-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C155-0301?
Check Price and Availability of C155-0301, 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 C155-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C155-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C155-0301
  • 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 C155-0301 available by request