G530-0289 Screening compound: N-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

G530-0289 Screening compound: N-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
G530-0289 Screening compound: N-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G530-0289
N-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-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

G530-0289

Molecular Formula

C22H23N3O5S (C22 H23 N3 O5 S)

Compound Name

N-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

N-{[1-(4-methoxyphenyl)-25-dimethyl-1H-pyrrol-3-yl]methyl}-3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

Cc1cc(CNS(c(cc2)cc(O3)c2N(C)C3=O)(=O)=O)c(C)n1-c(cc1)ccc1OC

InChI

InChI=1S/C22H23N3O5S/c1-14-11-16(15(2)25(14)17-5-7-18(29-4)8-6-17)13-23-31(27,28)19-9-10-20-21(12-19)30-22(26)24(20)3/h5-12,23H,13H2,1-4H3

InChI Key

NTYPUTCFACAHDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.102

Distribution Coefficient, logD

3.099

Water Solubility, LogSw

-3.70

Polar Surface Area

75.071

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G530-0289 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G530-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G530-0289?
Check Price and Availability of G530-0289, 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 G530-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G530-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G530-0289
  • 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 G530-0289 available by request