S259-4304 Screening compound: N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-1H-indole-4-carboxamide

S259-4304 Screening compound: N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-1H-indole-4-carboxamide
S259-4304 Screening compound: N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-1H-indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-4304
N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-1H-indole-4-carboxamide

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

S259-4304

Molecular Formula

C19H22N4O2 (C19 H22 N4 O2)

Compound Name

N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-1H-indole-4-carboxamide

IUPAC name

N-{1-[(35-dimethyl-12-oxazol-4-yl)methyl]pyrrolidin-3-yl}-1H-indole-4-carboxamide

SMILES

Cc1noc(C)c1CN(CC1)CC1NC(c1c(cc[nH]2)c2ccc1)=O

InChI

InChI=1S/C19H22N4O2/c1-12-17(13(2)25-22-12)11-23-9-7-14(10-23)21-19(24)16-4-3-5-18-15(16)6-8-20-18/h3-6,8,14,20H,7,9-11H2,1-2H3,(H,21,24)/t14-/m0/s1

InChI Key

SHCPTYABHUCRGD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD28042145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.084

Distribution Coefficient, logD

-0.141

Water Solubility, LogSw

-2.90

Polar Surface Area

60.036

Acid Dissociation Constant (pKa)

16.13

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

S259-4304 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S259-4304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-4304?
Check Price and Availability of S259-4304, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S259-4304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-4304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-4304
  • 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 S259-4304 available by request