P617-0650 Screening compound: 6-cyclopropyl-N~9~-(4-methoxyphenyl)-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide

P617-0650 Screening compound: 6-cyclopropyl-N~9~-(4-methoxyphenyl)-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
P617-0650 Screening compound: 6-cyclopropyl-N~9~-(4-methoxyphenyl)-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P617-0650
6-cyclopropyl-N~9~-(4-methoxyphenyl)-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

P617-0650

Molecular Formula

C23H19N3O3S (C23 H19 N3 O3 S)

Compound Name

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

IUPAC name

10-cyclopropyl-N-(4-methoxyphenyl)-9-oxo-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-14-carboxamide

SMILES

COc(cc1)ccc1NC(c(cc1)cc(Sc2ncccc22)c1N(C1CC1)C2=O)=O

InChI

InChI=1S/C23H19N3O3S/c1-29-17-9-5-15(6-10-17)25-21(27)14-4-11-19-20(13-14)30-22-18(3-2-12-24-22)23(28)26(19)16-7-8-16/h2-6,9-13,16H,7-8H2,1H3,(H,25,27)

InChI Key

CODLRLFMYVIQKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29022233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.956

Distribution Coefficient, logD

3.956

Water Solubility, LogSw

-4.11

Polar Surface Area

56.641

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with P617-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P617-0650?
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What is the minimum amount of P617-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P617-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P617-0650
  • 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 P617-0650 available by request