4553-3815 Screening compound: 2-(butylamino)-3-[(2,5-dimethylphenyl)carbamoyl]propanoic acid

4553-3815 Screening compound: 2-(butylamino)-3-[(2,5-dimethylphenyl)carbamoyl]propanoic acid
4553-3815 Screening compound: 2-(butylamino)-3-[(2,5-dimethylphenyl)carbamoyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4553-3815
2-(butylamino)-3-[(2,5-dimethylphenyl)carbamoyl]propanoic 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

4553-3815

Molecular Formula

C16H24N2O3 (C16 H24 N2 O3)

Compound Name

2-(butylamino)-3-[(2,5-dimethylphenyl)carbamoyl]propanoic acid

IUPAC name

2-(butylamino)-3-[(25-dimethylphenyl)carbamoyl]propanoic acid

SMILES

CCCCNC(CC(Nc1c(C)ccc(C)c1)=O)C(O)=O

InChI

InChI=1S/C16H24N2O3/c1-4-5-8-17-14(16(20)21)10-15(19)18-13-9-11(2)6-7-12(13)3/h6-7,9,14,17H,4-5,8,10H2,1-3H3,(H,18,19)(H,20,21)/t14-/m0/s1

InChI Key

IEWRQRJEXGTUNJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03826917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.989

Distribution Coefficient, logD

-2.131

Water Solubility, LogSw

-2.01

Polar Surface Area

62.398

Acid Dissociation Constant (pKa)

2.41

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

4553-3815 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4553-3815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4553-3815?
Check Price and Availability of 4553-3815, 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 4553-3815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4553-3815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4553-3815
  • 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 4553-3815 available by request