4553-3819 Screening compound: 3-[(2,5-dimethylphenyl)carbamoyl]-2-[(3-methoxypropyl)amino]propanoic acid

4553-3819 Screening compound: 3-[(2,5-dimethylphenyl)carbamoyl]-2-[(3-methoxypropyl)amino]propanoic acid
4553-3819 Screening compound: 3-[(2,5-dimethylphenyl)carbamoyl]-2-[(3-methoxypropyl)amino]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4553-3819
3-[(2,5-dimethylphenyl)carbamoyl]-2-[(3-methoxypropyl)amino]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

4553-3819

Molecular Formula

C16H24N2O4 (C16 H24 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(NC(CC(C(O)=O)NCCCOC)=O)c(C)cc1

InChI

InChI=1S/C16H24N2O4/c1-11-5-6-12(2)13(9-11)18-15(19)10-14(16(20)21)17-7-4-8-22-3/h5-6,9,14,17H,4,7-8,10H2,1-3H3,(H,18,19)(H,20,21)/t14-/m0/s1

InChI Key

CKDWLZHYVGSHRS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03826919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.131

Distribution Coefficient, logD

-3.251

Water Solubility, LogSw

-1.71

Polar Surface Area

70.741

Acid Dissociation Constant (pKa)

2.41

Base Dissociation Constant (pKb)

8.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

4553-3819 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4553-3819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4553-3819?
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What is the minimum amount of 4553-3819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4553-3819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4553-3819
  • 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 4553-3819 available by request