P895-0280 Screening compound: N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-methoxybenzamide

P895-0280 Screening compound: N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-methoxybenzamide
P895-0280 Screening compound: N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P895-0280
N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-methoxybenzamide

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

P895-0280

Molecular Formula

C23H21N3O3S (C23 H21 N3 O3 S)

Compound Name

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

IUPAC name

4-methoxy-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(cc1)ccc1OC)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C23H21N3O3S/c1-14(2)26-19-11-8-16(25-21(27)15-6-9-17(29-3)10-7-15)13-20(19)30-22-18(23(26)28)5-4-12-24-22/h4-14H,1-3H3,(H,25,27)

InChI Key

JDGYBMZFIYYCOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

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

4.226

Distribution Coefficient, logD

4.226

Water Solubility, LogSw

-4.34

Polar Surface Area

57.080

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

P895-0280 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P895-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0280?
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What is the minimum amount of P895-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0280
  • 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 P895-0280 available by request