C082-1009 Screening compound: N-(4-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide

C082-1009 Screening compound: N-(4-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide
C082-1009 Screening compound: N-(4-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C082-1009
N-(4-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide

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

C082-1009

Molecular Formula

C18H27N3OS (C18 H27 N3 OS)

Compound Name

N-(4-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide

IUPAC name

n/a

SMILES

CC(CC(C)(C)N1)N(CCCC(Nc2ccc(C)cc2)=O)C1=S

InChI

InChI=1S/C18H27N3OS/c1-13-7-9-15(10-8-13)19-16(22)6-5-11-21-14(2)12-18(3,4)20-17(21)23/h7-10,14H,5-6,11-12H2,1-4H3,(H,19,22)(H,20,23)/t14-/m0/s1

InChI Key

TWLJFTHBOJPDFE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14717993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.812

Distribution Coefficient, logD

2.812

Water Solubility, LogSw

-3.37

Polar Surface Area

37.125

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

C082-1009 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C082-1009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C082-1009?
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What is the minimum amount of C082-1009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C082-1009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C082-1009
  • 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 C082-1009 available by request