P895-0178 Screening compound: N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-isopropylbenzamide

P895-0178 Screening compound: N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-isopropylbenzamide
P895-0178 Screening compound: N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-isopropylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P895-0178
N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-isopropylbenzamide

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

P895-0178

Molecular Formula

C24H23N3O2S (C24 H23 N3 O2 S)

Compound Name

N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-isopropylbenzamide

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}-4-(propan-2-yl)benzamide

SMILES

CCN(c(ccc(NC(c1ccc(C(C)C)cc1)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C24H23N3O2S/c1-4-27-20-12-11-18(26-22(28)17-9-7-16(8-10-17)15(2)3)14-21(20)30-23-19(24(27)29)6-5-13-25-23/h5-15H,4H2,1-3H3,(H,26,28)

InChI Key

WXQLXZIWDAUXOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.336

Distribution Coefficient, logD

5.336

Water Solubility, LogSw

-5.28

Polar Surface Area

49.541

Acid Dissociation Constant (pKa)

11.66

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

P895-0178 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P895-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0178?
Check Price and Availability of P895-0178, 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 P895-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0178
  • 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 P895-0178 available by request