5225-6597 Screening compound: 4-(4-chloroanilino)-4-oxo-2-[(tetrahydro-2-furanylmethyl)amino]butanoic acid

5225-6597 Screening compound: 4-(4-chloroanilino)-4-oxo-2-[(tetrahydro-2-furanylmethyl)amino]butanoic acid
5225-6597 Screening compound: 4-(4-chloroanilino)-4-oxo-2-[(tetrahydro-2-furanylmethyl)amino]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5225-6597
4-(4-chloroanilino)-4-oxo-2-[(tetrahydro-2-furanylmethyl)amino]butanoic 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

5225-6597

Molecular Formula

C15H19ClN2O4 (C15 H19 ClN2 O4)

Compound Name

4-(4-chloroanilino)-4-oxo-2-[(tetrahydro-2-furanylmethyl)amino]butanoic acid

IUPAC name

n/a

SMILES

OC(C(CC(Nc(cc1)ccc1Cl)=O)NCC1OCCC1)=O

InChI

InChI=1S/C15H19ClN2O4/c16-10-3-5-11(6-4-10)18-14(19)8-13(15(20)21)17-9-12-2-1-7-22-12/h3-6,12-13,17H,1-2,7-9H2,(H,18,19)(H,20,21)

InChI Key

VJRIVWRWNGJQNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04426796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.78

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

0.307

Distribution Coefficient, logD

-2.813

Water Solubility, LogSw

-2.09

Polar Surface Area

71.637

Acid Dissociation Constant (pKa)

2.41

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.70

5225-6597 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5225-6597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5225-6597?
Check Price and Availability of 5225-6597, 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 5225-6597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5225-6597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5225-6597
  • 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 5225-6597 available by request