C069-0266 Screening compound: N-[(2-chlorophenyl)methyl]-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide

C069-0266 Screening compound: N-[(2-chlorophenyl)methyl]-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide
C069-0266 Screening compound: N-[(2-chlorophenyl)methyl]-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C069-0266
N-[(2-chlorophenyl)methyl]-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide

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

C069-0266

Molecular Formula

C16H22ClN3OS (C16 H22 ClN3 OS)

Compound Name

N-[(2-chlorophenyl)methyl]-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-(446-trimethyl-2-sulfanylidene-13-diazinan-1-yl)acetamide

SMILES

CC(CC(C)(C)N1)N(CC(NCc(cccc2)c2Cl)=O)C1=S

InChI

InChI=1S/C16H22ClN3OS/c1-11-8-16(2,3)19-15(22)20(11)10-14(21)18-9-12-6-4-5-7-13(12)17/h4-7,11H,8-10H2,1-3H3,(H,18,21)(H,19,22)/t11-/m0/s1

InChI Key

FMBBOEXZWVAECF-NSHDSACASA-N

MDL Number (MFCD)

MFCD14716396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-3.38

Polar Surface Area

38.469

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C069-0266 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C069-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C069-0266?
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What is the minimum amount of C069-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C069-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C069-0266
  • 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 C069-0266 available by request