C069-0370 Screening compound: 1-(4-benzylpiperidin-1-yl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethan-1-one

C069-0370 Screening compound: 1-(4-benzylpiperidin-1-yl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethan-1-one
C069-0370 Screening compound: 1-(4-benzylpiperidin-1-yl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C069-0370
1-(4-benzylpiperidin-1-yl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethan-1-one

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

C069-0370

Molecular Formula

C21H31N3OS (C21 H31 N3 OS)

Compound Name

1-(4-benzylpiperidin-1-yl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethan-1-one

IUPAC name

1-(4-benzylpiperidin-1-yl)-2-(446-trimethyl-2-sulfanylidene-13-diazinan-1-yl)ethan-1-one

SMILES

CC(CC(C)(C)N1)N(CC(N2CCC(Cc3ccccc3)CC2)=O)C1=S

InChI

InChI=1S/C21H31N3OS/c1-16-14-21(2,3)22-20(26)24(16)15-19(25)23-11-9-18(10-12-23)13-17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3,(H,22,26)/t16-/m0/s1

InChI Key

XCSSWTBPIOXQSW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14716410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.676

Distribution Coefficient, logD

3.676

Water Solubility, LogSw

-3.96

Polar Surface Area

30.118

Acid Dissociation Constant (pKa)

17.37

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

C069-0370 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C069-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C069-0370?
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What is the minimum amount of C069-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C069-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C069-0370
  • 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 C069-0370 available by request