P895-0139 Screening compound: 2-ethoxy-N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide

P895-0139 Screening compound: 2-ethoxy-N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
P895-0139 Screening compound: 2-ethoxy-N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P895-0139
2-ethoxy-N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide

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

P895-0139

Molecular Formula

C23H21N3O3S (C23 H21 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(ccc(NC(c(cccc1)c1OCC)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C23H21N3O3S/c1-3-26-18-12-11-15(25-21(27)16-8-5-6-10-19(16)29-4-2)14-20(18)30-22-17(23(26)28)9-7-13-24-22/h5-14H,3-4H2,1-2H3,(H,25,27)

InChI Key

FQHGWVKPYRSIIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.276

Distribution Coefficient, logD

4.276

Water Solubility, LogSw

-4.22

Polar Surface Area

56.751

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

P895-0139 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P895-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0139?
Check Price and Availability of P895-0139, 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 P895-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0139
  • 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 P895-0139 available by request