Y031-2069 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}propanamide

Y031-2069 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}propanamide
Y031-2069 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2069
3-[(4-chlorophenyl)sulfanyl]-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}propanamide

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

Y031-2069

Molecular Formula

C19H17ClN4O3S2 (C19 H17 ClN4 O3 S2)

Compound Name

3-[(4-chlorophenyl)sulfanyl]-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}propanamide

IUPAC name

3-[(4-chlorophenyl)sulfanyl]-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}propanamide

SMILES

O=C(CCSc(cc1)ccc1Cl)Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O

InChI

InChI=1S/C19H17ClN4O3S2/c20-14-2-6-16(7-3-14)28-13-10-18(25)23-15-4-8-17(9-5-15)29(26,27)24-19-21-11-1-12-22-19/h1-9,11-12H,10,13H2,(H,23,25)(H,21,22,24)

InChI Key

QXLAEVPZTGDLHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06338881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.061

Distribution Coefficient, logD

2.306

Water Solubility, LogSw

-3.56

Polar Surface Area

84.335

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

Y031-2069 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y031-2069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2069?
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What is the minimum amount of Y031-2069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2069
  • 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 Y031-2069 available by request