Y300-1136 Screening compound: 5-fluoro-2-methoxy-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzene-1-sulfonamide

Y300-1136 Screening compound: 5-fluoro-2-methoxy-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzene-1-sulfonamide
Y300-1136 Screening compound: 5-fluoro-2-methoxy-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y300-1136
5-fluoro-2-methoxy-N-[4-(pyrrolidine-1-sulfonyl)phenyl]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

Y300-1136

Molecular Formula

C17H19FN2O5S2 (C17 H19 FN2 O5 S2)

Compound Name

5-fluoro-2-methoxy-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzene-1-sulfonamide

IUPAC name

5-fluoro-2-methoxy-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzene-1-sulfonamide

SMILES

COc(ccc(F)c1)c1S(Nc(cc1)ccc1S(N1CCCC1)(=O)=O)(=O)=O

InChI

InChI=1S/C17H19FN2O5S2/c1-25-16-9-4-13(18)12-17(16)26(21,22)19-14-5-7-15(8-6-14)27(23,24)20-10-2-3-11-20/h4-9,12,19H,2-3,10-11H2,1H3

InChI Key

HSXBYHCPPCASFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18487052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.595

Distribution Coefficient, logD

1.524

Water Solubility, LogSw

-3.05

Polar Surface Area

80.595

Acid Dissociation Constant (pKa)

6.37

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

Y300-1136 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y300-1136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y300-1136?
Check Price and Availability of Y300-1136, 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 Y300-1136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y300-1136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y300-1136
  • 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 Y300-1136 available by request