P895-0113 Screening compound: 4-methyl-N~1~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide

P895-0113 Screening compound: 4-methyl-N~1~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
P895-0113 Screening compound: 4-methyl-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 P895-0113
4-methyl-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

P895-0113

Molecular Formula

C21H17N3O2S (C21 H17 N3 O2 S)

Compound Name

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

IUPAC name

4-methyl-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

Cc(cc1)ccc1C(Nc(cc1)cc(Sc2ncccc22)c1N(C)C2=O)=O

InChI

InChI=1S/C21H17N3O2S/c1-13-5-7-14(8-6-13)19(25)23-15-9-10-17-18(12-15)27-20-16(4-3-11-22-20)21(26)24(17)2/h3-12H,1-2H3,(H,23,25)

InChI Key

IQFBDYVKIURXAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.544

Distribution Coefficient, logD

3.544

Water Solubility, LogSw

-3.81

Polar Surface Area

49.582

Acid Dissociation Constant (pKa)

11.66

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with P895-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0113?
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What is the minimum amount of P895-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0113
  • 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 P895-0113 available by request