P618-0499 Screening compound: N~1~-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,6-dimethoxybenzamide

P618-0499 Screening compound: N~1~-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,6-dimethoxybenzamide
P618-0499 Screening compound: N~1~-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,6-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P618-0499
N~1~-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,6-dimethoxybenzamide

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

P618-0499

Molecular Formula

C24H23N3O4S (C24 H23 N3 O4 S)

Compound Name

N~1~-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,6-dimethoxybenzamide

IUPAC name

N-({10-ethyl-9-oxo-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaen-14-yl}methyl)-26-dimethoxybenzamide

SMILES

CCN(c(ccc(CNC(c(c(OC)ccc1)c1OC)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C24H23N3O4S/c1-4-27-17-11-10-15(13-20(17)32-23-16(24(27)29)7-6-12-25-23)14-26-22(28)21-18(30-2)8-5-9-19(21)31-3/h5-13H,4,14H2,1-3H3,(H,26,28)

InChI Key

AOJWLAYXBRMCFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.917

Distribution Coefficient, logD

2.916

Water Solubility, LogSw

-3.54

Polar Surface Area

66.124

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

P618-0499 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P618-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P618-0499?
Check Price and Availability of P618-0499, 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 P618-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P618-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P618-0499
  • 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 P618-0499 available by request