5225-7011 Screening compound: 3-[(3-chloro-2-methylphenyl)carbamoyl]-2-{[3-(morpholin-4-yl)propyl]amino}propanoic acid

5225-7011 Screening compound: 3-[(3-chloro-2-methylphenyl)carbamoyl]-2-{[3-(morpholin-4-yl)propyl]amino}propanoic acid
5225-7011 Screening compound: 3-[(3-chloro-2-methylphenyl)carbamoyl]-2-{[3-(morpholin-4-yl)propyl]amino}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5225-7011
3-[(3-chloro-2-methylphenyl)carbamoyl]-2-{[3-(morpholin-4-yl)propyl]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

5225-7011

Molecular Formula

C18H26ClN3O4 (C18 H26 ClN3 O4)

Compound Name

3-[(3-chloro-2-methylphenyl)carbamoyl]-2-{[3-(morpholin-4-yl)propyl]amino}propanoic acid

IUPAC name

3-[(3-chloro-2-methylphenyl)carbamoyl]-2-{[3-(morpholin-4-yl)propyl]amino}propanoic acid

SMILES

Cc(c(NC(CC(C(O)=O)NCCCN1CCOCC1)=O)ccc1)c1Cl

InChI

InChI=1S/C18H26ClN3O4/c1-13-14(19)4-2-5-15(13)21-17(23)12-16(18(24)25)20-6-3-7-22-8-10-26-11-9-22/h2,4-5,16,20H,3,6-12H2,1H3,(H,21,23)(H,24,25)/t16-/m0/s1

InChI Key

KKUBJQCFOBNAQQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04426880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.138

Distribution Coefficient, logD

-2.982

Water Solubility, LogSw

-2.35

Polar Surface Area

74.018

Acid Dissociation Constant (pKa)

2.41

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

5225-7011 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 5225-7011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5225-7011?
Check Price and Availability of 5225-7011, 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 5225-7011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5225-7011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5225-7011
  • 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 5225-7011 available by request