8017-5567 Screening compound: N~5~-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(methylsulfonyl)-5-indolinesulfonamide

8017-5567 Screening compound: N~5~-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(methylsulfonyl)-5-indolinesulfonamide
8017-5567 Screening compound: N~5~-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(methylsulfonyl)-5-indolinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5567
N~5~-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(methylsulfonyl)-5-indolinesulfonamide

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

8017-5567

Molecular Formula

C19H19N3O5S2 (C19 H19 N3 O5 S2)

Compound Name

N~5~-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(methylsulfonyl)-5-indolinesulfonamide

IUPAC name

1-methanesulfonyl-N-[4-(2-methyl-13-oxazol-5-yl)phenyl]-23-dihydro-1H-indole-5-sulfonamide

SMILES

Cc1ncc(-c(cc2)ccc2NS(c(cc2)cc(CC3)c2N3S(C)(=O)=O)(=O)=O)o1

InChI

InChI=1S/C19H19N3O5S2/c1-13-20-12-19(27-13)14-3-5-16(6-4-14)21-29(25,26)17-7-8-18-15(11-17)9-10-22(18)28(2,23)24/h3-8,11-12,21H,9-10H2,1-2H3

InChI Key

JJUIPBHWJSKISU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.617

Distribution Coefficient, logD

2.616

Water Solubility, LogSw

-2.97

Polar Surface Area

89.122

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

8017-5567 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-5567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5567?
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What is the minimum amount of 8017-5567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5567
  • 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 8017-5567 available by request