P895-0010 Screening compound: 5-bromo-N~2~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2-furamide

P895-0010 Screening compound: 5-bromo-N~2~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2-furamide
P895-0010 Screening compound: 5-bromo-N~2~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P895-0010
5-bromo-N~2~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2-furamide

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

P895-0010

Molecular Formula

C18H12BrN3O3S (C18 H12 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(NC(c(o1)ccc1Br)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C18H12BrN3O3S/c1-22-12-5-4-10(21-16(23)13-6-7-15(19)25-13)9-14(12)26-17-11(18(22)24)3-2-8-20-17/h2-9H,1H3,(H,21,23)

InChI Key

IDDUKVUAKWHAGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.258

Distribution Coefficient, logD

3.258

Water Solubility, LogSw

-3.80

Polar Surface Area

58.507

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

P895-0010 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P895-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0010?
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What is the minimum amount of P895-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0010
  • 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 P895-0010 available by request