Y030-1621 Screening compound: N,N-bis[(benzenesulfonyl)methyl]-4-bromo-2-fluoroaniline

Y030-1621 Screening compound: N,N-bis[(benzenesulfonyl)methyl]-4-bromo-2-fluoroaniline
Y030-1621 Screening compound: N,N-bis[(benzenesulfonyl)methyl]-4-bromo-2-fluoroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-1621
N,N-bis[(benzenesulfonyl)methyl]-4-bromo-2-fluoroaniline

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

Y030-1621

Molecular Formula

C20H17BrFNO4S2 (C20 H17 BrFNO4 S2)

Compound Name

N,N-bis[(benzenesulfonyl)methyl]-4-bromo-2-fluoroaniline

IUPAC name

NN-bis[(benzenesulfonyl)methyl]-4-bromo-2-fluoroaniline

SMILES

O=S(CN(CS(c1ccccc1)(=O)=O)c(ccc(Br)c1)c1F)(c1ccccc1)=O

InChI

InChI=1S/C20H17BrFNO4S2/c21-16-11-12-20(19(22)13-16)23(14-28(24,25)17-7-3-1-4-8-17)15-29(26,27)18-9-5-2-6-10-18/h1-13H,14-15H2

InChI Key

XMFZMPOOOGFCRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01988616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.930

Distribution Coefficient, logD

3.930

Water Solubility, LogSw

-4.16

Polar Surface Area

57.835

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

Y030-1621 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y030-1621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-1621?
Check Price and Availability of Y030-1621, 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 Y030-1621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-1621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-1621
  • 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 Y030-1621 available by request