E006-0136 Screening compound: N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-tetrahydro-2-furanylmethylurea

E006-0136 Screening compound: N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-tetrahydro-2-furanylmethylurea
E006-0136 Screening compound: N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-tetrahydro-2-furanylmethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound E006-0136
N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-tetrahydro-2-furanylmethylurea

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

E006-0136

Molecular Formula

C20H21N3O3S (C20 H21 N3 O3 S)

Compound Name

N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-tetrahydro-2-furanylmethylurea

IUPAC name

1-{9-methyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaen-6-yl}-3-[(oxolan-2-yl)methyl]urea

SMILES

CN(c(cc(cc1)NC(NCC2OCCC2)=O)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C20H21N3O3S/c1-23-16-11-13(22-20(25)21-12-14-5-4-10-26-14)8-9-18(16)27-17-7-3-2-6-15(17)19(23)24/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H2,21,22,25)/t14-/m1/s1

InChI Key

IXACMQDZGOWUHO-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14836695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.992

Distribution Coefficient, logD

2.992

Water Solubility, LogSw

-3.64

Polar Surface Area

57.717

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

E006-0136 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E006-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E006-0136?
Check Price and Availability of E006-0136, 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 E006-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E006-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E006-0136
  • 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 E006-0136 available by request