Y600-3745 Screening compound: N-(3,4-dimethyl-5-isoxazolyl)-4-{[1-(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H-pyrazol-4-yliden)ethyl]amino}-1-benzenesulfonamide

Y600-3745 Screening compound: N-(3,4-dimethyl-5-isoxazolyl)-4-{[1-(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H-pyrazol-4-yliden)ethyl]amino}-1-benzenesulfonamide
Y600-3745 Screening compound: N-(3,4-dimethyl-5-isoxazolyl)-4-{[1-(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H-pyrazol-4-yliden)ethyl]amino}-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-3745
N-(3,4-dimethyl-5-isoxazolyl)-4-{[1-(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H-pyrazol-4-yliden)ethyl]amino}-1-benzenesulfonamide

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

Y600-3745

Molecular Formula

C25H27N5O4S (C25 H27 N5 O4 S)

Compound Name

N-(3,4-dimethyl-5-isoxazolyl)-4-{[1-(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H-pyrazol-4-yliden)ethyl]amino}-1-benzenesulfonamide

IUPAC name

N-(34-dimethyl-12-oxazol-5-yl)-4-({1-[(4Z)-5-oxo-1-phenyl-3-propyl-45-dihydro-1H-pyrazol-4-ylidene]ethyl}amino)benzene-1-sulfonamide

SMILES

CCCC(/C(/C1=O)=C(\C)/Nc(cc2)ccc2S(Nc2c(C)c(C)no2)(=O)=O)=NN1c1ccccc1

InChI

InChI=1S/C25H27N5O4S/c1-5-9-22-23(25(31)30(27-22)20-10-7-6-8-11-20)18(4)26-19-12-14-21(15-13-19)35(32,33)29-24-16(2)17(3)28-34-24/h6-8,10-15,26,29H,5,9H2,1-4H3

InChI Key

XRQUUUVEHWJXSU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.136

Distribution Coefficient, logD

2.127

Water Solubility, LogSw

-4.03

Polar Surface Area

99.853

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

Y600-3745 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y600-3745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-3745?
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What is the minimum amount of Y600-3745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-3745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-3745
  • 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 Y600-3745 available by request