P895-0304 Screening compound: 2,4-difluoro-N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide

P895-0304 Screening compound: 2,4-difluoro-N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
P895-0304 Screening compound: 2,4-difluoro-N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P895-0304
2,4-difluoro-N~1~-(6-isopropyl-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

P895-0304

Molecular Formula

C22H17F2N3O2S (C22 H17 F2 N3 O2 S)

Compound Name

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

IUPAC name

24-difluoro-N-[9-oxo-10-(propan-2-yl)-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaen-14-yl]benzamide

SMILES

CC(C)N(c(ccc(NC(c(ccc(F)c1)c1F)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C22H17F2N3O2S/c1-12(2)27-18-8-6-14(26-20(28)15-7-5-13(23)10-17(15)24)11-19(18)30-21-16(22(27)29)4-3-9-25-21/h3-12H,1-2H3,(H,26,28)

InChI Key

JAOLHEZUZXVXCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.547

Distribution Coefficient, logD

4.546

Water Solubility, LogSw

-4.41

Polar Surface Area

49.536

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with P895-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0304?
Check Price and Availability of P895-0304, 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 P895-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0304
  • 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 P895-0304 available by request