P895-0134 Screening compound: N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-3-methoxybenzamide

P895-0134 Screening compound: N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-3-methoxybenzamide
P895-0134 Screening compound: N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P895-0134
N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-3-methoxybenzamide

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

P895-0134

Molecular Formula

C22H19N3O3S (C22 H19 N3 O3 S)

Compound Name

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

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}-3-methoxybenzamide

SMILES

CCN(c(ccc(NC(c1cc(OC)ccc1)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C22H19N3O3S/c1-3-25-18-10-9-15(24-20(26)14-6-4-7-16(12-14)28-2)13-19(18)29-21-17(22(25)27)8-5-11-23-21/h4-13H,3H2,1-2H3,(H,24,26)

InChI Key

POOXUDSYSOIABC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.059

Distribution Coefficient, logD

4.059

Water Solubility, LogSw

-4.20

Polar Surface Area

57.084

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

P895-0134 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 P895-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0134?
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What is the minimum amount of P895-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0134
  • 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 P895-0134 available by request