E006-0556 Screening compound: N~1~-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)tetrahydro-1,4(2H)-pyridinedicarboxamide

E006-0556 Screening compound: N~1~-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)tetrahydro-1,4(2H)-pyridinedicarboxamide
E006-0556 Screening compound: N~1~-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)tetrahydro-1,4(2H)-pyridinedicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E006-0556
N~1~-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)tetrahydro-1,4(2H)-pyridinedicarboxamide

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

E006-0556

Molecular Formula

C27H26N4O3S (C27 H26 N4 O3 S)

Compound Name

N~1~-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)tetrahydro-1,4(2H)-pyridinedicarboxamide

IUPAC name

N1-{9-benzyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaen-6-yl}piperidine-14-dicarboxamide

SMILES

NC(C(CC1)CCN1C(Nc(cc1)cc(N2Cc3ccccc3)c1Sc(cccc1)c1C2=O)=O)=O

InChI

InChI=1S/C27H26N4O3S/c28-25(32)19-12-14-30(15-13-19)27(34)29-20-10-11-24-22(16-20)31(17-18-6-2-1-3-7-18)26(33)21-8-4-5-9-23(21)35-24/h1-11,16,19H,12-15,17H2,(H2,28,32)(H,29,34)

InChI Key

ZNFSMPHLWTWTGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14836825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.059

Distribution Coefficient, logD

4.059

Water Solubility, LogSw

-4.33

Polar Surface Area

74.929

Acid Dissociation Constant (pKa)

13.53

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E006-0556 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E006-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E006-0556?
Check Price and Availability of E006-0556, 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 E006-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E006-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E006-0556
  • 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 E006-0556 available by request