5225-6577 Screening compound: 3-[(4-chlorophenyl)carbamoyl]-2-{[(pyridin-2-yl)methyl]amino}propanoic acid

5225-6577 Screening compound: 3-[(4-chlorophenyl)carbamoyl]-2-{[(pyridin-2-yl)methyl]amino}propanoic acid
5225-6577 Screening compound: 3-[(4-chlorophenyl)carbamoyl]-2-{[(pyridin-2-yl)methyl]amino}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5225-6577
3-[(4-chlorophenyl)carbamoyl]-2-{[(pyridin-2-yl)methyl]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

5225-6577

Molecular Formula

C16H16ClN3O3 (C16 H16 ClN3 O3)

Compound Name

3-[(4-chlorophenyl)carbamoyl]-2-{[(pyridin-2-yl)methyl]amino}propanoic acid

IUPAC name

3-[(4-chlorophenyl)carbamoyl]-2-{[(pyridin-2-yl)methyl]amino}propanoic acid

SMILES

OC(C(CC(Nc(cc1)ccc1Cl)=O)NCc1ncccc1)=O

InChI

InChI=1S/C16H16ClN3O3/c17-11-4-6-12(7-5-11)20-15(21)9-14(16(22)23)19-10-13-3-1-2-8-18-13/h1-8,14,19H,9-10H2,(H,20,21)(H,22,23)/t14-/m0/s1

InChI Key

QLSCPTZHXPFDFK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04426790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.497

Distribution Coefficient, logD

-2.459

Water Solubility, LogSw

-2.06

Polar Surface Area

72.526

Acid Dissociation Constant (pKa)

2.58

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

5225-6577 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5225-6577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5225-6577?
Check Price and Availability of 5225-6577, 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 5225-6577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5225-6577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5225-6577
  • 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 5225-6577 available by request