L266-0042 Screening compound: 5-bromo-N-{3-[2-(1-ethyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}thiophene-2-sulfonamide

L266-0042 Screening compound: 5-bromo-N-{3-[2-(1-ethyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}thiophene-2-sulfonamide
L266-0042 Screening compound: 5-bromo-N-{3-[2-(1-ethyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L266-0042
5-bromo-N-{3-[2-(1-ethyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}thiophene-2-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

L266-0042

Molecular Formula

C21H20BrN3O2S2 (C21 H20 BrN3 O2 S2)

Compound Name

5-bromo-N-{3-[2-(1-ethyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}thiophene-2-sulfonamide

IUPAC name

5-bromo-N-{3-[2-(1-ethyl-1H-13-benzodiazol-2-yl)ethyl]phenyl}thiophene-2-sulfonamide

SMILES

CCn1c(cccc2)c2nc1CCc1cccc(NS(c(s2)ccc2Br)(=O)=O)c1

InChI

InChI=1S/C21H20BrN3O2S2/c1-2-25-18-9-4-3-8-17(18)23-20(25)12-10-15-6-5-7-16(14-15)24-29(26,27)21-13-11-19(22)28-21/h3-9,11,13-14,24H,2,10,12H2,1H3

InChI Key

XSFXUJSOWAQECW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15121778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.831

Distribution Coefficient, logD

5.812

Water Solubility, LogSw

-5.62

Polar Surface Area

52.536

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L266-0042 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L266-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L266-0042?
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What is the minimum amount of L266-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L266-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L266-0042
  • 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 L266-0042 available by request