H025-0466C Screening compound: N~8~-(3-fluorophenyl)-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-sulfonamide

H025-0466C Screening compound: N~8~-(3-fluorophenyl)-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-sulfonamide
H025-0466C Screening compound: N~8~-(3-fluorophenyl)-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0466C
N~8~-(3-fluorophenyl)-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-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

H025-0466C

Molecular Formula

C18H18FN3O2S (C18 H18 FN3 O2 S)

Compound Name

N~8~-(3-fluorophenyl)-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-sulfonamide

IUPAC name

N-(3-fluorophenyl)-2-methyl-1H2H3H4H5H-pyrido[43-b]indole-8-sulfonamide

SMILES

CN(CC1)Cc2c1[nH]c(cc1)c2cc1S(Nc1cc(F)ccc1)(=O)=O

InChI

InChI=1S/C18H18FN3O2S/c1-22-8-7-18-16(11-22)15-10-14(5-6-17(15)20-18)25(23,24)21-13-4-2-3-12(19)9-13/h2-6,9-10,20-21H,7-8,11H2,1H3

InChI Key

RTSLGLYHBXLBEJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

359.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.455

Distribution Coefficient, logD

2.455

Water Solubility, LogSw

-2.98

Polar Surface Area

55.069

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

9.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

H025-0466C in Drug Discovery

Included in Screening Libraries

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

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with H025-0466C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0466C?
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What is the minimum amount of H025-0466C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0466C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0466C
  • 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 H025-0466C available by request