L475-0368 Screening compound: 3-ethyl-6-{[4-(pyrazine-2-carbonyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-2-one

L475-0368 Screening compound: 3-ethyl-6-{[4-(pyrazine-2-carbonyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-2-one
L475-0368 Screening compound: 3-ethyl-6-{[4-(pyrazine-2-carbonyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L475-0368
3-ethyl-6-{[4-(pyrazine-2-carbonyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-2-one

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

L475-0368

Molecular Formula

C18H19N5O4S2 (C18 H19 N5 O4 S2)

Compound Name

3-ethyl-6-{[4-(pyrazine-2-carbonyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-2-one

IUPAC name

3-ethyl-6-{[4-(pyrazine-2-carbonyl)piperazin-1-yl]sulfonyl}-23-dihydro-13-benzothiazol-2-one

SMILES

CCN(c(ccc(S(N(CC1)CCN1C(c1nccnc1)=O)(=O)=O)c1)c1S1)C1=O

InChI

InChI=1S/C18H19N5O4S2/c1-2-23-15-4-3-13(11-16(15)28-18(23)25)29(26,27)22-9-7-21(8-10-22)17(24)14-12-19-5-6-20-14/h3-6,11-12H,2,7-10H2,1H3

InChI Key

XSCQKYJOXYEEPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27455329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.412

Distribution Coefficient, logD

1.412

Water Solubility, LogSw

-1.97

Polar Surface Area

82.540

Acid Dissociation Constant (pKa)

27.91

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L475-0368 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L475-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L475-0368?
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What is the minimum amount of L475-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L475-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L475-0368
  • 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 L475-0368 available by request