Y030-1620 Screening compound: N,N-bis[(benzenesulfonyl)methyl]-3-bromoaniline

Y030-1620 Screening compound: N,N-bis[(benzenesulfonyl)methyl]-3-bromoaniline
Y030-1620 Screening compound: N,N-bis[(benzenesulfonyl)methyl]-3-bromoaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-1620
N,N-bis[(benzenesulfonyl)methyl]-3-bromoaniline

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

Y030-1620

Molecular Formula

C20H18BrNO4S2 (C20 H18 BrNO4 S2)

Compound Name

N,N-bis[(benzenesulfonyl)methyl]-3-bromoaniline

IUPAC name

NN-bis[(benzenesulfonyl)methyl]-3-bromoaniline

SMILES

O=S(CN(CS(c1ccccc1)(=O)=O)c1cccc(Br)c1)(c1ccccc1)=O

InChI

InChI=1S/C20H18BrNO4S2/c21-17-8-7-9-18(14-17)22(15-27(23,24)19-10-3-1-4-11-19)16-28(25,26)20-12-5-2-6-13-20/h1-14H,15-16H2

InChI Key

MXDFEVWXDCYWII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01988614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.4

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

3.957

Distribution Coefficient, logD

3.957

Water Solubility, LogSw

-4.17

Polar Surface Area

58.136

Acid Dissociation Constant (pKa)

20.49

Base Dissociation Constant (pKb)

-3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with Y030-1620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-1620?
Check Price and Availability of Y030-1620, 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 Y030-1620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-1620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-1620
  • 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 Y030-1620 available by request