Y010-1076 Screening compound: 4-chloro-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-[(thiophen-2-yl)methyl]benzene-1-sulfonamide

Y010-1076 Screening compound: 4-chloro-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-[(thiophen-2-yl)methyl]benzene-1-sulfonamide
Y010-1076 Screening compound: 4-chloro-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-[(thiophen-2-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1076
4-chloro-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-[(thiophen-2-yl)methyl]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

Y010-1076

Molecular Formula

C21H18ClFN2O2S2 (C21 H18 ClFN2 O2 S2)

Compound Name

4-chloro-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-[(thiophen-2-yl)methyl]benzene-1-sulfonamide

IUPAC name

4-chloro-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-[(thiophen-2-yl)methyl]benzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1Cl)(N(CCc1c[nH]c(cc2)c1cc2F)Cc1cccs1)=O

InChI

InChI=1S/C21H18ClFN2O2S2/c22-16-3-6-19(7-4-16)29(26,27)25(14-18-2-1-11-28-18)10-9-15-13-24-21-8-5-17(23)12-20(15)21/h1-8,11-13,24H,9-10,14H2

InChI Key

NRPGHDXYVWHQAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07756746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.378

Distribution Coefficient, logD

5.378

Water Solubility, LogSw

-6.09

Polar Surface Area

42.210

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

Y010-1076 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y010-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1076?
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What is the minimum amount of Y010-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1076
  • 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 Y010-1076 available by request