Y030-4779 Screening compound: 3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide

Y030-4779 Screening compound: 3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide
Y030-4779 Screening compound: 3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-4779
3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide

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

Y030-4779

Molecular Formula

C13H20N2O3S (C13 H20 N2 O3 S)

Compound Name

3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide

IUPAC name

33-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide

SMILES

CC(C)(C)CC(NCc(cc1)ccc1S(N)(=O)=O)=O

InChI

InChI=1S/C13H20N2O3S/c1-13(2,3)8-12(16)15-9-10-4-6-11(7-5-10)19(14,17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H2,14,17,18)

InChI Key

HEAPVCKPRDZXON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00862587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.276

Distribution Coefficient, logD

1.275

Water Solubility, LogSw

-1.95

Polar Surface Area

75.313

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

Y030-4779 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y030-4779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-4779?
Check Price and Availability of Y030-4779, 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 Y030-4779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-4779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-4779
  • 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 Y030-4779 available by request