C069-0029 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide

C069-0029 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide
C069-0029 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C069-0029
N-(6-methoxy-1,3-benzothiazol-2-yl)-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

C069-0029

Molecular Formula

C18H24N4O2S2 (C18 H24 N4 O2 S2)

Compound Name

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

IUPAC name

N-(6-methoxy-13-benzothiazol-2-yl)-3-(446-trimethyl-2-sulfanylidene-13-diazinan-1-yl)propanamide

SMILES

CC(CC(C)(C)N1)N(CCC(Nc2nc(ccc(OC)c3)c3s2)=O)C1=S

InChI

InChI=1S/C18H24N4O2S2/c1-11-10-18(2,3)21-17(25)22(11)8-7-15(23)20-16-19-13-6-5-12(24-4)9-14(13)26-16/h5-6,9,11H,7-8,10H2,1-4H3,(H,21,25)(H,19,20,23)/t11-/m0/s1

InChI Key

HNGJZLKYBWGVDC-NSHDSACASA-N

MDL Number (MFCD)

MFCD14716364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.631

Distribution Coefficient, logD

3.631

Water Solubility, LogSw

-4.03

Polar Surface Area

54.430

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C069-0029 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C069-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C069-0029?
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What is the minimum amount of C069-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C069-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C069-0029
  • 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 C069-0029 available by request