P895-0079 Screening compound: 5-chloro-2-methoxy-N~1~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide

P895-0079 Screening compound: 5-chloro-2-methoxy-N~1~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
P895-0079 Screening compound: 5-chloro-2-methoxy-N~1~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P895-0079
5-chloro-2-methoxy-N~1~-(6-methyl-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

P895-0079

Molecular Formula

C21H16ClN3O3S (C21 H16 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(NC(c(cc(cc1)Cl)c1OC)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C21H16ClN3O3S/c1-25-16-7-6-13(24-19(26)15-10-12(22)5-8-17(15)28-2)11-18(16)29-20-14(21(25)27)4-3-9-23-20/h3-11H,1-2H3,(H,24,26)

InChI Key

GOZBAWHJDSAWLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.785

Distribution Coefficient, logD

3.782

Water Solubility, LogSw

-4.23

Polar Surface Area

57.212

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

P895-0079 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 P895-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0079?
Check Price and Availability of P895-0079, 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 P895-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0079
  • 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 P895-0079 available by request