C798-1009 Screening compound: N~1~-{3-[2-methyl-4-(3-methylphenyl)piperazino]propyl}-3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]propanamide

C798-1009 Screening compound: N~1~-{3-[2-methyl-4-(3-methylphenyl)piperazino]propyl}-3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]propanamide
C798-1009 Screening compound: N~1~-{3-[2-methyl-4-(3-methylphenyl)piperazino]propyl}-3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1009
N~1~-{3-[2-methyl-4-(3-methylphenyl)piperazino]propyl}-3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]propanamide

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

C798-1009

Molecular Formula

C30H35N5O2S (C30 H35 N5 O2 S)

Compound Name

N~1~-{3-[2-methyl-4-(3-methylphenyl)piperazino]propyl}-3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]propanamide

IUPAC name

N-{3-[2-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}-3-{9-oxo-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-yl}propanamide

SMILES

CC(C1)N(CCCNC(CCN(c(cccc2)c2Sc2ncccc22)C2=O)=O)CCN1c1cc(C)ccc1

InChI

InChI=1S/C30H35N5O2S/c1-22-8-5-9-24(20-22)34-19-18-33(23(2)21-34)16-7-15-31-28(36)13-17-35-26-11-3-4-12-27(26)38-29-25(30(35)37)10-6-14-32-29/h3-6,8-12,14,20,23H,7,13,15-19,21H2,1-2H3,(H,31,36)/t23-/m0/s1

InChI Key

LSHPKWRBIQDLEF-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14799166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.973

Distribution Coefficient, logD

2.843

Water Solubility, LogSw

-4.06

Polar Surface Area

57.371

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

8.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.70

C798-1009 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C798-1009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1009?
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What is the minimum amount of C798-1009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1009
  • 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 C798-1009 available by request