C517-4622 Screening compound: 2-[N-(2H-1,3-benzodioxol-5-yl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]-N-(4-bromophenyl)-N-methylacetamide

C517-4622 Screening compound: 2-[N-(2H-1,3-benzodioxol-5-yl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]-N-(4-bromophenyl)-N-methylacetamide
C517-4622 Screening compound: 2-[N-(2H-1,3-benzodioxol-5-yl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]-N-(4-bromophenyl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-4622
2-[N-(2H-1,3-benzodioxol-5-yl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]-N-(4-bromophenyl)-N-methylacetamide

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

C517-4622

Molecular Formula

C21H20BrN3O6S (C21 H20 BrN3 O6 S)

Compound Name

2-[N-(2H-1,3-benzodioxol-5-yl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]-N-(4-bromophenyl)-N-methylacetamide

IUPAC name

2-[N-(2H-13-benzodioxol-5-yl)35-dimethyl-12-oxazole-4-sulfonamido]-N-(4-bromophenyl)-N-methylacetamide

SMILES

Cc1noc(C)c1S(N(CC(N(C)c(cc1)ccc1Br)=O)c(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C21H20BrN3O6S/c1-13-21(14(2)31-23-13)32(27,28)25(17-8-9-18-19(10-17)30-12-29-18)11-20(26)24(3)16-6-4-15(22)5-7-16/h4-10H,11-12H2,1-3H3

InChI Key

YHROJTSBFIPDKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14764025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.895

Distribution Coefficient, logD

2.895

Water Solubility, LogSw

-3.30

Polar Surface Area

86.059

Acid Dissociation Constant (pKa)

18.90

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C517-4622 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Endocrine
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with C517-4622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-4622?
Check Price and Availability of C517-4622, 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 C517-4622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-4622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-4622
  • 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 C517-4622 available by request