L990-1089 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-3-(5,6,7,8-tetrahydronaphthalene-2-sulfonamido)benzamide

L990-1089 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-3-(5,6,7,8-tetrahydronaphthalene-2-sulfonamido)benzamide
L990-1089 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-3-(5,6,7,8-tetrahydronaphthalene-2-sulfonamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L990-1089
N-(2,1,3-benzothiadiazol-4-yl)-3-(5,6,7,8-tetrahydronaphthalene-2-sulfonamido)benzamide

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

L990-1089

Molecular Formula

C23H20N4O3S2 (C23 H20 N4 O3 S2)

Compound Name

N-(2,1,3-benzothiadiazol-4-yl)-3-(5,6,7,8-tetrahydronaphthalene-2-sulfonamido)benzamide

IUPAC name

N-(213-benzothiadiazol-4-yl)-3-(5678-tetrahydronaphthalene-2-sulfonamido)benzamide

SMILES

O=C(c1cccc(NS(c2cc(CCCC3)c3cc2)(=O)=O)c1)Nc1cccc2nsnc12

InChI

InChI=1S/C23H20N4O3S2/c28-23(24-20-9-4-10-21-22(20)26-31-25-21)17-7-3-8-18(13-17)27-32(29,30)19-12-11-15-5-1-2-6-16(15)14-19/h3-4,7-14,27H,1-2,5-6H2,(H,24,28)

InChI Key

QLHWFQDMADCIQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.539

Distribution Coefficient, logD

5.392

Water Solubility, LogSw

-5.77

Polar Surface Area

84.155

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

L990-1089 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 L990-1089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L990-1089?
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What is the minimum amount of L990-1089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L990-1089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L990-1089
  • 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 L990-1089 available by request