C529-1509 Screening compound: 10-benzyl-N~8~-[2-(dimethylamino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

C529-1509 Screening compound: 10-benzyl-N~8~-[2-(dimethylamino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
C529-1509 Screening compound: 10-benzyl-N~8~-[2-(dimethylamino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C529-1509
10-benzyl-N~8~-[2-(dimethylamino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

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

C529-1509

Molecular Formula

C25H25N3O3S (C25 H25 N3 O3 S)

Compound Name

10-benzyl-N~8~-[2-(dimethylamino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-benzyl-N-[2-(dimethylamino)ethyl]-210-dioxo-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

CN(C)CCNC(c(cc1)cc(N(Cc2ccccc2)C(c2c3cccc2)=O)c1S3=O)=O

InChI

InChI=1S/C25H27N3O3S/c1-27(2)15-14-26-24(29)19-12-13-23-21(16-19)28(17-18-8-4-3-5-9-18)25(30)20-10-6-7-11-22(20)32(23)31/h3-13,16H,14-15,17,32H2,1-2H3,(H,26,29)

InChI Key

OEWCAKWXEYIUET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.441

Distribution Coefficient, logD

1.602

Water Solubility, LogSw

-3.24

Polar Surface Area

59.177

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C529-1509 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C529-1509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C529-1509?
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What is the minimum amount of C529-1509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C529-1509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C529-1509
  • 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 C529-1509 available by request