Y050-1412 Screening compound: 5-chloro-2-ethoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide

Y050-1412 Screening compound: 5-chloro-2-ethoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
Y050-1412 Screening compound: 5-chloro-2-ethoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-1412
5-chloro-2-ethoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide

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

Y050-1412

Molecular Formula

C13H18ClNO4S (C13 H18 ClNO4 S)

Compound Name

5-chloro-2-ethoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide

IUPAC name

5-chloro-2-ethoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide

SMILES

CCOc(ccc(Cl)c1)c1S(NCC1OCCC1)(=O)=O

InChI

InChI=1S/C13H18ClNO4S/c1-2-18-12-6-5-10(14)8-13(12)20(16,17)15-9-11-4-3-7-19-11/h5-6,8,11,15H,2-4,7,9H2,1H3/t11-/m1/s1

InChI Key

GJMYACABOBKSJL-LLVKDONJSA-N

MDL Number (MFCD)

MFCD07361211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.81

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.187

Distribution Coefficient, logD

2.187

Water Solubility, LogSw

-2.87

Polar Surface Area

57.861

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-5.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

Y050-1412 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y050-1412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-1412?
Check Price and Availability of Y050-1412, 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 Y050-1412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-1412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-1412
  • 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 Y050-1412 available by request