5849-3341 Screening compound: (4-chlorophenyl)methyl 2-[(furan-2-yl)formamido]acetate

5849-3341 Screening compound: (4-chlorophenyl)methyl 2-[(furan-2-yl)formamido]acetate
5849-3341 Screening compound: (4-chlorophenyl)methyl 2-[(furan-2-yl)formamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5849-3341
(4-chlorophenyl)methyl 2-[(furan-2-yl)formamido]acetate

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

5849-3341

Molecular Formula

C14H12ClNO4 (C14 H12 ClNO4)

Compound Name

(4-chlorophenyl)methyl 2-[(furan-2-yl)formamido]acetate

IUPAC name

(4-chlorophenyl)methyl 2-[(furan-2-yl)formamido]acetate

SMILES

O=C(CNC(c1ccco1)=O)OCc(cc1)ccc1Cl

InChI

InChI=1S/C14H12ClNO4/c15-11-5-3-10(4-6-11)9-20-13(17)8-16-14(18)12-2-1-7-19-12/h1-7H,8-9H2,(H,16,18)

InChI Key

VSGWVFGLLDGGFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03615208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.529

Distribution Coefficient, logD

2.529

Water Solubility, LogSw

-3.06

Polar Surface Area

53.764

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

5849-3341 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with 5849-3341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5849-3341?
Check Price and Availability of 5849-3341, 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 5849-3341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5849-3341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5849-3341
  • 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 5849-3341 available by request