L904-3613 Screening compound: N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

L904-3613 Screening compound: N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
L904-3613 Screening compound: N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L904-3613
N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-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

L904-3613

Molecular Formula

C21H15ClN2O4S2 (C21 H15 ClN2 O4 S2)

Compound Name

N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

IUPAC name

N-[4-(6-chloro-13-benzothiazol-2-yl)phenyl]-23-dihydro-14-benzodioxine-6-sulfonamide

SMILES

O=S(c(cc1)cc2c1OCCO2)(Nc(cc1)ccc1-c1nc(ccc(Cl)c2)c2s1)=O

InChI

InChI=1S/C21H15ClN2O4S2/c22-14-3-7-17-20(11-14)29-21(23-17)13-1-4-15(5-2-13)24-30(25,26)16-6-8-18-19(12-16)28-10-9-27-18/h1-8,11-12,24H,9-10H2

InChI Key

RNLLMKPXYHQGFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27485656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.559

Distribution Coefficient, logD

4.559

Water Solubility, LogSw

-4.66

Polar Surface Area

66.160

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

L904-3613 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L904-3613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L904-3613?
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What is the minimum amount of L904-3613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L904-3613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L904-3613
  • 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 L904-3613 available by request