P895-0091 Screening compound: 3-fluoro-4-methyl-N~1~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide

P895-0091 Screening compound: 3-fluoro-4-methyl-N~1~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
P895-0091 Screening compound: 3-fluoro-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 P895-0091
3-fluoro-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

P895-0091

Molecular Formula

C21H16FN3O2S (C21 H16 FN3 O2 S)

Compound Name

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

IUPAC name

3-fluoro-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(ccc(C(Nc(cc1)cc(Sc2ncccc22)c1N(C)C2=O)=O)c1)c1F

InChI

InChI=1S/C21H16FN3O2S/c1-12-5-6-13(10-16(12)22)19(26)24-14-7-8-17-18(11-14)28-20-15(4-3-9-23-20)21(27)25(17)2/h3-11H,1-2H3,(H,24,26)

InChI Key

KHCVIBPMEFLYLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

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

3.791

Distribution Coefficient, logD

3.790

Water Solubility, LogSw

-4.00

Polar Surface Area

49.582

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

P895-0091 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with P895-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0091?
Check Price and Availability of P895-0091, 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 P895-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0091
  • 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 P895-0091 available by request