C301-0549 Screening compound: (2Z)-N-(3-chloro-4-fluorophenyl)-4-(2,5-dimethoxyphenyl)-2-hydroxy-4-oxobut-2-enamide

C301-0549 Screening compound: (2Z)-N-(3-chloro-4-fluorophenyl)-4-(2,5-dimethoxyphenyl)-2-hydroxy-4-oxobut-2-enamide
C301-0549 Screening compound: (2Z)-N-(3-chloro-4-fluorophenyl)-4-(2,5-dimethoxyphenyl)-2-hydroxy-4-oxobut-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0549
(2Z)-N-(3-chloro-4-fluorophenyl)-4-(2,5-dimethoxyphenyl)-2-hydroxy-4-oxobut-2-enamide

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

C301-0549

Molecular Formula

C18H15ClFNO5 (C18 H15 ClFNO5)

Compound Name

(2Z)-N-(3-chloro-4-fluorophenyl)-4-(2,5-dimethoxyphenyl)-2-hydroxy-4-oxobut-2-enamide

IUPAC name

(2Z)-N-(3-chloro-4-fluorophenyl)-4-(25-dimethoxyphenyl)-2-hydroxy-4-oxobut-2-enamide

SMILES

COc(cc1)cc(C(/C=C(/C(Nc(cc2)cc(Cl)c2F)=O)\O)=O)c1OC

InChI

InChI=1S/C18H15ClFNO5/c1-25-11-4-6-17(26-2)12(8-11)15(22)9-16(23)18(24)21-10-3-5-14(20)13(19)7-10/h3-9,23H,1-2H3,(H,21,24)

InChI Key

FZPQNPCTBOXSGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.388

Distribution Coefficient, logD

2.455

Water Solubility, LogSw

-3.69

Polar Surface Area

67.312

Acid Dissociation Constant (pKa)

6.52

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with C301-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0549?
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What is the minimum amount of C301-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0549
  • 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 C301-0549 available by request