P895-0323 Screening compound: N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2,6-dimethoxybenzamide

P895-0323 Screening compound: N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2,6-dimethoxybenzamide
P895-0323 Screening compound: N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2,6-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P895-0323
N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-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

P895-0323

Molecular Formula

C24H23N3O4S (C24 H23 N3 O4 S)

Compound Name

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

IUPAC name

26-dimethoxy-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

CC(C)N(c(ccc(NC(c(c(OC)ccc1)c1OC)=O)c1)c1Sc1ncccc11)C1=O

InChI

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

InChI Key

FHJDGIHBFWFMJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027120

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

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.766

Distribution Coefficient, logD

3.759

Water Solubility, LogSw

-4.29

Polar Surface Area

64.797

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

P895-0323 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 P895-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0323?
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What is the minimum amount of P895-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0323
  • 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 P895-0323 available by request