P895-0231 Screening compound: N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2-methylbenzamide

P895-0231 Screening compound: N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2-methylbenzamide
P895-0231 Screening compound: N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P895-0231
N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2-methylbenzamide

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

P895-0231

Molecular Formula

C22H19N3O2S (C22 H19 N3 O2 S)

Compound Name

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

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}-2-methylbenzamide

SMILES

CCN(c(ccc(NC(c1c(C)cccc1)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C22H19N3O2S/c1-3-25-18-11-10-15(24-20(26)16-8-5-4-7-14(16)2)13-19(18)28-21-17(22(25)27)9-6-12-23-21/h4-13H,3H2,1-2H3,(H,24,26)

InChI Key

HAGIPXWWFOYFAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.216

Distribution Coefficient, logD

4.216

Water Solubility, LogSw

-4.20

Polar Surface Area

49.541

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

P895-0231 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 P895-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0231?
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What is the minimum amount of P895-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0231
  • 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 P895-0231 available by request