Y503-1338 Screening compound: 4-(2-{5-[(E)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}ethyl)-1-benzenesulfonamide

Y503-1338 Screening compound: 4-(2-{5-[(E)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}ethyl)-1-benzenesulfonamide
Y503-1338 Screening compound: 4-(2-{5-[(E)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}ethyl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-1338
4-(2-{5-[(E)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}ethyl)-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

Y503-1338

Molecular Formula

C17H18N4O3S3 (C17 H18 N4 O3 S3)

Compound Name

4-(2-{5-[(E)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}ethyl)-1-benzenesulfonamide

IUPAC name

4-{2-[(5E)-5-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]ethyl}benzene-1-sulfonamide

SMILES

CCn1ncc(/C=C(\C(N2CCc(cc3)ccc3S(N)(=O)=O)=O)/SC2=S)c1

InChI

InChI=1S/C17H18N4O3S3/c1-2-20-11-13(10-19-20)9-15-16(22)21(17(25)26-15)8-7-12-3-5-14(6-4-12)27(18,23)24/h3-6,9-11H,2,7-8H2,1H3,(H2,18,23,24)

InChI Key

OPVFKQVFNUZBBN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.444

Distribution Coefficient, logD

1.443

Water Solubility, LogSw

-2.13

Polar Surface Area

81.526

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

Y503-1338 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y503-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-1338?
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What is the minimum amount of Y503-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-1338
  • 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 Y503-1338 available by request