Y508-5244 Screening compound: 3-[4-[(Z)-1-(3-bromo-5-ethoxy-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethoxy}phenyl)methylidene]-3-methyl-5-oxo-1H-pyrazol-1(5H)-yl]benzoic acid

Y508-5244 Screening compound: 3-[4-[(Z)-1-(3-bromo-5-ethoxy-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethoxy}phenyl)methylidene]-3-methyl-5-oxo-1H-pyrazol-1(5H)-yl]benzoic acid
Y508-5244 Screening compound: 3-[4-[(Z)-1-(3-bromo-5-ethoxy-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethoxy}phenyl)methylidene]-3-methyl-5-oxo-1H-pyrazol-1(5H)-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-5244
3-[4-[(Z)-1-(3-bromo-5-ethoxy-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethoxy}phenyl)methylidene]-3-methyl-5-oxo-1H-pyrazol-1(5H)-yl]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

Y508-5244

Molecular Formula

C31H28BrN3O8 (C31 H28 BrN3 O8)

Compound Name

3-[4-[(Z)-1-(3-bromo-5-ethoxy-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethoxy}phenyl)methylidene]-3-methyl-5-oxo-1H-pyrazol-1(5H)-yl]benzoic acid

IUPAC name

n/a

SMILES

CCOC(c(cc1)ccc1NC(COc(c(OCC)cc(/C=C(/C(C)=NN1c2cc(C(O)=O)ccc2)\C1=O)c1)c1Br)=O)=O

InChI

InChI=1S/C31H28BrN3O8/c1-4-41-26-15-19(13-24-18(3)34-35(29(24)37)23-8-6-7-21(16-23)30(38)39)14-25(32)28(26)43-17-27(36)33-22-11-9-20(10-12-22)31(40)42-5-2/h6-16H,4-5,17H2,1-3H3,(H,33,36)(H,38,39)

InChI Key

WUWLKNATIJYKRK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

650.48

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.952

Distribution Coefficient, logD

3.066

Water Solubility, LogSw

-5.39

Polar Surface Area

112.509

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-8.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.40

References: we are preparing a list of scientific research reports with Y508-5244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-5244?
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What is the minimum amount of Y508-5244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-5244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-5244
  • 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 Y508-5244 available by request