J037-0255 Screening compound: 2-{[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]sulfanyl}-N,N-diethyl-4-methylquinoline-6-sulfonamide

J037-0255 Screening compound: 2-{[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]sulfanyl}-N,N-diethyl-4-methylquinoline-6-sulfonamide
J037-0255 Screening compound: 2-{[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]sulfanyl}-N,N-diethyl-4-methylquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J037-0255
2-{[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]sulfanyl}-N,N-diethyl-4-methylquinoline-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

J037-0255

Molecular Formula

C25H29N3O3S2 (C25 H29 N3 O3 S2)

Compound Name

2-{[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]sulfanyl}-N,N-diethyl-4-methylquinoline-6-sulfonamide

IUPAC name

2-{[1-(23-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]sulfanyl}-NN-diethyl-4-methylquinoline-6-sulfonamide

SMILES

CCN(CC)S(c(ccc1n2)cc1c(C)cc2SC(C)C(N(CC1)c2c1cccc2)=O)(=O)=O

InChI

InChI=1S/C25H29N3O3S2/c1-5-27(6-2)33(30,31)20-11-12-22-21(16-20)17(3)15-24(26-22)32-18(4)25(29)28-14-13-19-9-7-8-10-23(19)28/h7-12,15-16,18H,5-6,13-14H2,1-4H3/t18-/m0/s1

InChI Key

ROBGICRPBALFQW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15079218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.254

Distribution Coefficient, logD

5.254

Water Solubility, LogSw

-5.09

Polar Surface Area

54.705

Acid Dissociation Constant (pKa)

16.96

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

J037-0255 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 J037-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J037-0255?
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What is the minimum amount of J037-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J037-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J037-0255
  • 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 J037-0255 available by request