L598-0455 Screening compound: 1-[5-(2-methyl-1,3-thiazol-4-yl)-2-(propan-2-yl)benzenesulfonyl]-2,3-dihydro-1H-indole

L598-0455 Screening compound: 1-[5-(2-methyl-1,3-thiazol-4-yl)-2-(propan-2-yl)benzenesulfonyl]-2,3-dihydro-1H-indole
L598-0455 Screening compound: 1-[5-(2-methyl-1,3-thiazol-4-yl)-2-(propan-2-yl)benzenesulfonyl]-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound L598-0455
1-[5-(2-methyl-1,3-thiazol-4-yl)-2-(propan-2-yl)benzenesulfonyl]-2,3-dihydro-1H-indole

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

L598-0455

Molecular Formula

C21H22N2O2S2 (C21 H22 N2 O2 S2)

Compound Name

1-[5-(2-methyl-1,3-thiazol-4-yl)-2-(propan-2-yl)benzenesulfonyl]-2,3-dihydro-1H-indole

IUPAC name

1-[5-(2-methyl-13-thiazol-4-yl)-2-(propan-2-yl)benzenesulfonyl]-23-dihydro-1H-indole

SMILES

CC(C)c(ccc(-c1csc(C)n1)c1)c1S(N(CC1)c2c1cccc2)(=O)=O

InChI

InChI=1S/C21H22N2O2S2/c1-14(2)18-9-8-17(19-13-26-15(3)22-19)12-21(18)27(24,25)23-11-10-16-6-4-5-7-20(16)23/h4-9,12-14H,10-11H2,1-3H3

InChI Key

BLZNLFSNPLOONA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27464489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.313

Distribution Coefficient, logD

5.313

Water Solubility, LogSw

-5.31

Polar Surface Area

41.297

Acid Dissociation Constant (pKa)

21.97

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L598-0455 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 L598-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L598-0455?
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What is the minimum amount of L598-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L598-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L598-0455
  • 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 L598-0455 available by request