C069-0074 Screening compound: N-(4-ethoxyphenyl)-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide

C069-0074 Screening compound: N-(4-ethoxyphenyl)-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide
C069-0074 Screening compound: N-(4-ethoxyphenyl)-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C069-0074
N-(4-ethoxyphenyl)-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-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

C069-0074

Molecular Formula

C18H27N3O2S (C18 H27 N3 O2 S)

Compound Name

N-(4-ethoxyphenyl)-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide

IUPAC name

N-(4-ethoxyphenyl)-3-(446-trimethyl-2-sulfanylidene-13-diazinan-1-yl)propanamide

SMILES

CCOc(cc1)ccc1NC(CCN(C(C)CC(C)(C)N1)C1=S)=O

InChI

InChI=1S/C18H27N3O2S/c1-5-23-15-8-6-14(7-9-15)19-16(22)10-11-21-13(2)12-18(3,4)20-17(21)24/h6-9,13H,5,10-12H2,1-4H3,(H,19,22)(H,20,24)/t13-/m0/s1

InChI Key

DJDQRHHPFUJFGF-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14716373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.174

Distribution Coefficient, logD

3.174

Water Solubility, LogSw

-3.42

Polar Surface Area

44.249

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

C069-0074 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C069-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C069-0074?
Check Price and Availability of C069-0074, 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 C069-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C069-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C069-0074
  • 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 C069-0074 available by request