P617-0379 Screening compound: N~9~-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide

P617-0379 Screening compound: N~9~-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
P617-0379 Screening compound: N~9~-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P617-0379
N~9~-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide

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

P617-0379

Molecular Formula

C23H21N3O4S (C23 H21 N3 O4 S)

Compound Name

N~9~-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide

IUPAC name

N-(34-dimethoxyphenyl)-10-ethyl-9-oxo-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-14-carboxamide

SMILES

CCN(c(ccc(C(Nc(cc1)cc(OC)c1OC)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C23H21N3O4S/c1-4-26-17-9-7-14(12-20(17)31-22-16(23(26)28)6-5-11-24-22)21(27)25-15-8-10-18(29-2)19(13-15)30-3/h5-13H,4H2,1-3H3,(H,25,27)

InChI Key

ILBXOCXEGYLUGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29022088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

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

3.483

Distribution Coefficient, logD

3.481

Water Solubility, LogSw

-3.76

Polar Surface Area

64.801

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with P617-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P617-0379?
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What is the minimum amount of P617-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P617-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P617-0379
  • 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 P617-0379 available by request