C155-0345 Screening compound: ethyl 3-[2-(cyclohexylformamido)-4-methylpentanamido]benzoate

C155-0345 Screening compound: ethyl 3-[2-(cyclohexylformamido)-4-methylpentanamido]benzoate
C155-0345 Screening compound: ethyl 3-[2-(cyclohexylformamido)-4-methylpentanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C155-0345
ethyl 3-[2-(cyclohexylformamido)-4-methylpentanamido]benzoate

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

C155-0345

Molecular Formula

C22H32N2O4 (C22 H32 N2 O4)

Compound Name

ethyl 3-[2-(cyclohexylformamido)-4-methylpentanamido]benzoate

IUPAC name

ethyl 3-[2-(cyclohexylformamido)-4-methylpentanamido]benzoate

SMILES

CCOC(c1cc(NC(C(CC(C)C)NC(C2CCCCC2)=O)=O)ccc1)=O

InChI

InChI=1S/C22H32N2O4/c1-4-28-22(27)17-11-8-12-18(14-17)23-21(26)19(13-15(2)3)24-20(25)16-9-6-5-7-10-16/h8,11-12,14-16,19H,4-7,9-10,13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1

InChI Key

BRGULJXPUDQHMR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14723295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.716

Distribution Coefficient, logD

4.716

Water Solubility, LogSw

-4.37

Polar Surface Area

68.591

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

C155-0345 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C155-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C155-0345?
Check Price and Availability of C155-0345, 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 C155-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C155-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C155-0345
  • 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 C155-0345 available by request