Y030-5457 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4,6-tris(propan-2-yl)benzene-1-sulfonamide

Y030-5457 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4,6-tris(propan-2-yl)benzene-1-sulfonamide
Y030-5457 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4,6-tris(propan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-5457
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4,6-tris(propan-2-yl)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

Y030-5457

Molecular Formula

C23H31NO4S (C23 H31 NO4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4,6-tris(propan-2-yl)benzene-1-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-246-tris(propan-2-yl)benzene-1-sulfonamide

SMILES

CC(C)c(cc1C(C)C)cc(C(C)C)c1S(NCc(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C23H31NO4S/c1-14(2)18-10-19(15(3)4)23(20(11-18)16(5)6)29(25,26)24-12-17-7-8-21-22(9-17)28-13-27-21/h7-11,14-16,24H,12-13H2,1-6H3

InChI Key

STFSYSZFCVHZER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02603900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.924

Distribution Coefficient, logD

5.924

Water Solubility, LogSw

-5.68

Polar Surface Area

59.112

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

Y030-5457 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with Y030-5457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-5457?
Check Price and Availability of Y030-5457, 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 Y030-5457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-5457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-5457
  • 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 Y030-5457 available by request