C082-0928 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide

C082-0928 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide
C082-0928 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C082-0928
N-(6-methyl-1,3-benzothiazol-2-yl)-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

C082-0928

Molecular Formula

C17H22N4OS2 (C17 H22 N4 OS2)

Compound Name

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

IUPAC name

N-(6-methyl-13-benzothiazol-2-yl)-2-(446-trimethyl-2-sulfanylidene-13-diazinan-1-yl)acetamide

SMILES

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

InChI

InChI=1S/C17H22N4OS2/c1-10-5-6-12-13(7-10)24-15(18-12)19-14(22)9-21-11(2)8-17(3,4)20-16(21)23/h5-7,11H,8-9H2,1-4H3,(H,20,23)(H,18,19,22)/t11-/m0/s1

InChI Key

ZMEHXCCDIOXBIY-NSHDSACASA-N

MDL Number (MFCD)

MFCD14717974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.914

Distribution Coefficient, logD

3.914

Water Solubility, LogSw

-3.92

Polar Surface Area

46.908

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

References: we are preparing a list of scientific research reports with C082-0928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C082-0928?
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What is the minimum amount of C082-0928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C082-0928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C082-0928
  • 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 C082-0928 available by request