Y508-7565 Screening compound: 3-chloro-N'~2~-((E)-1-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)-1-benzothiophene-2-carbohydrazide

Y508-7565 Screening compound: 3-chloro-N'~2~-((E)-1-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)-1-benzothiophene-2-carbohydrazide
Y508-7565 Screening compound: 3-chloro-N'~2~-((E)-1-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)-1-benzothiophene-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-7565
3-chloro-N'~2~-((E)-1-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)-1-benzothiophene-2-carbohydrazide

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

Y508-7565

Molecular Formula

C21H16ClN5O4S (C21 H16 ClN5 O4 S)

Compound Name

3-chloro-N'~2~-((E)-1-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)-1-benzothiophene-2-carbohydrazide

IUPAC name

n/a

SMILES

COc1c(Cn2ncc([N+]([O-])=O)c2)cc(/C=N/NC(c(sc2c3cccc2)c3Cl)=O)cc1

InChI

InChI=1S/C21H16ClN5O4S/c1-31-17-7-6-13(8-14(17)11-26-12-15(10-24-26)27(29)30)9-23-25-21(28)20-19(22)16-4-2-3-5-18(16)32-20/h2-10,12H,11H2,1H3,(H,25,28)

InChI Key

RVFARWMBYLDIBT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.91

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.572

Distribution Coefficient, logD

4.569

Water Solubility, LogSw

-5.04

Polar Surface Area

91.819

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with Y508-7565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-7565?
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What is the minimum amount of Y508-7565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-7565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-7565
  • 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 Y508-7565 available by request