L475-0346 Screening compound: 4-{4-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperazine-1-carbonyl}benzonitrile

L475-0346 Screening compound: 4-{4-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperazine-1-carbonyl}benzonitrile
L475-0346 Screening compound: 4-{4-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperazine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L475-0346
4-{4-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperazine-1-carbonyl}benzonitrile

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

L475-0346

Molecular Formula

C21H20N4O4S2 (C21 H20 N4 O4 S2)

Compound Name

4-{4-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperazine-1-carbonyl}benzonitrile

IUPAC name

4-{4-[(3-ethyl-2-oxo-23-dihydro-13-benzothiazol-6-yl)sulfonyl]piperazine-1-carbonyl}benzonitrile

SMILES

CCN(c(ccc(S(N(CC1)CCN1C(c(cc1)ccc1C#N)=O)(=O)=O)c1)c1S1)C1=O

InChI

InChI=1S/C21H20N4O4S2/c1-2-25-18-8-7-17(13-19(18)30-21(25)27)31(28,29)24-11-9-23(10-12-24)20(26)16-5-3-15(14-22)4-6-16/h3-8,13H,2,9-12H2,1H3

InChI Key

SWXPVJJQNXXNIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27455311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.625

Distribution Coefficient, logD

2.625

Water Solubility, LogSw

-3.02

Polar Surface Area

81.031

Acid Dissociation Constant (pKa)

27.91

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with L475-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L475-0346?
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What is the minimum amount of L475-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L475-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L475-0346
  • 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 L475-0346 available by request