Y502-6436 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(2-thienyl)-2-pyrimidinyl]sulfanyl}-1-ethanone

Y502-6436 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(2-thienyl)-2-pyrimidinyl]sulfanyl}-1-ethanone
Y502-6436 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(2-thienyl)-2-pyrimidinyl]sulfanyl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-6436
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(2-thienyl)-2-pyrimidinyl]sulfanyl}-1-ethanone

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

Y502-6436

Molecular Formula

C18H14N2O3S2 (C18 H14 N2 O3 S2)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(2-thienyl)-2-pyrimidinyl]sulfanyl}-1-ethanone

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-2-{[4-(thiophen-2-yl)pyrimidin-2-yl]sulfanyl}ethan-1-one

SMILES

O=C(CSc1nccc(-c2cccs2)n1)c(cc1)cc2c1OCCO2

InChI

InChI=1S/C18H14N2O3S2/c21-14(12-3-4-15-16(10-12)23-8-7-22-15)11-25-18-19-6-5-13(20-18)17-2-1-9-24-17/h1-6,9-10H,7-8,11H2

InChI Key

MZRUKYPBLUTZDF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.249

Distribution Coefficient, logD

3.249

Water Solubility, LogSw

-3.43

Polar Surface Area

47.509

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

Y502-6436 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 Y502-6436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-6436?
Check Price and Availability of Y502-6436, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y502-6436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-6436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-6436
  • 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 Y502-6436 available by request