P895-0256 Screening compound: 2-ethoxy-N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide

P895-0256 Screening compound: 2-ethoxy-N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
P895-0256 Screening compound: 2-ethoxy-N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P895-0256
2-ethoxy-N~1~-(6-isopropyl-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

P895-0256

Molecular Formula

C24H23N3O3S (C24 H23 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1C(Nc(cc1)cc(Sc2ncccc22)c1N(C(C)C)C2=O)=O

InChI

InChI=1S/C24H23N3O3S/c1-4-30-20-10-6-5-8-17(20)22(28)26-16-11-12-19-21(14-16)31-23-18(9-7-13-25-23)24(29)27(19)15(2)3/h5-15H,4H2,1-3H3,(H,26,28)

InChI Key

AHXFIZRAHCBTNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

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

4.522

Distribution Coefficient, logD

4.522

Water Solubility, LogSw

-4.26

Polar Surface Area

56.747

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

P895-0256 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 P895-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0256?
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What is the minimum amount of P895-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0256
  • 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 P895-0256 available by request