Y070-0633 Screening compound: N-(1-{[4-(ethenesulfonyl)-2-methoxyphenyl]amino}-2-oxo-2-phenylethyl)acetamide

Y070-0633 Screening compound: N-(1-{[4-(ethenesulfonyl)-2-methoxyphenyl]amino}-2-oxo-2-phenylethyl)acetamide
Y070-0633 Screening compound: N-(1-{[4-(ethenesulfonyl)-2-methoxyphenyl]amino}-2-oxo-2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0633
N-(1-{[4-(ethenesulfonyl)-2-methoxyphenyl]amino}-2-oxo-2-phenylethyl)acetamide

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

Y070-0633

Molecular Formula

C19H20N2O5S (C19 H20 N2 O5 S)

Compound Name

N-(1-{[4-(ethenesulfonyl)-2-methoxyphenyl]amino}-2-oxo-2-phenylethyl)acetamide

IUPAC name

N-(1-{[4-(ethenesulfonyl)-2-methoxyphenyl]amino}-2-oxo-2-phenylethyl)acetamide

SMILES

CC(NC(C(c1ccccc1)=O)Nc(ccc(S(C=C)(=O)=O)c1)c1OC)=O

InChI

InChI=1S/C19H20N2O5S/c1-4-27(24,25)15-10-11-16(17(12-15)26-3)21-19(20-13(2)22)18(23)14-8-6-5-7-9-14/h4-12,19,21H,1H2,2-3H3,(H,20,22)/t19-/m0/s1

InChI Key

JEOLDXQQVFDNJB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03463308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

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

1.339

Distribution Coefficient, logD

1.339

Water Solubility, LogSw

-2.25

Polar Surface Area

83.056

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

Y070-0633 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with Y070-0633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0633?
Check Price and Availability of Y070-0633, 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 Y070-0633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0633
  • 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 Y070-0633 available by request