S259-4090 Screening compound: N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-piperidyl}-1H-indole-6-carboxamide

S259-4090 Screening compound: N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-piperidyl}-1H-indole-6-carboxamide
S259-4090 Screening compound: N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-piperidyl}-1H-indole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-4090
N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-piperidyl}-1H-indole-6-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

S259-4090

Molecular Formula

C20H24N4O2 (C20 H24 N4 O2)

Compound Name

N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-piperidyl}-1H-indole-6-carboxamide

IUPAC name

N-{1-[(35-dimethyl-12-oxazol-4-yl)methyl]piperidin-3-yl}-1H-indole-6-carboxamide

SMILES

Cc1noc(C)c1CN(CCC1)CC1NC(c1cc([nH]cc2)c2cc1)=O

InChI

InChI=1S/C20H24N4O2/c1-13-18(14(2)26-23-13)12-24-9-3-4-17(11-24)22-20(25)16-6-5-15-7-8-21-19(15)10-16/h5-8,10,17,21H,3-4,9,11-12H2,1-2H3,(H,22,25)/t17-/m0/s1

InChI Key

BTHXUFUREVMREQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD28996040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.44

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

2.390

Distribution Coefficient, logD

1.259

Water Solubility, LogSw

-2.94

Polar Surface Area

59.670

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

8.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S259-4090 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S259-4090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-4090?
Check Price and Availability of S259-4090, 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 S259-4090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-4090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-4090
  • 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 S259-4090 available by request