4728-0100 Screening compound: 2-chloro-5-[5-oxo-5-(2,2,3,3-tetrafluoropropoxy)pentanamido]benzoic acid

4728-0100 Screening compound: 2-chloro-5-[5-oxo-5-(2,2,3,3-tetrafluoropropoxy)pentanamido]benzoic acid
4728-0100 Screening compound: 2-chloro-5-[5-oxo-5-(2,2,3,3-tetrafluoropropoxy)pentanamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4728-0100
2-chloro-5-[5-oxo-5-(2,2,3,3-tetrafluoropropoxy)pentanamido]benzoic 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

4728-0100

Molecular Formula

C15H14ClF4NO5 (C15 H14 ClF4 NO5)

Compound Name

2-chloro-5-[5-oxo-5-(2,2,3,3-tetrafluoropropoxy)pentanamido]benzoic acid

IUPAC name

2-chloro-5-[5-oxo-5-(2233-tetrafluoropropoxy)pentanamido]benzoic acid

SMILES

OC(c(cc(cc1)NC(CCCC(OCC(C(F)F)(F)F)=O)=O)c1Cl)=O

InChI

InChI=1S/C15H14ClF4NO5/c16-10-5-4-8(6-9(10)13(24)25)21-11(22)2-1-3-12(23)26-7-15(19,20)14(17)18/h4-6,14H,1-3,7H2,(H,21,22)(H,24,25)

InChI Key

DTERUPCHDZFSAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02054847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.73

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.805

Distribution Coefficient, logD

-0.998

Water Solubility, LogSw

-3.47

Polar Surface Area

72.330

Acid Dissociation Constant (pKa)

3.60

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4728-0100 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4728-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4728-0100?
Check Price and Availability of 4728-0100, 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 4728-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4728-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4728-0100
  • 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 4728-0100 available by request