C069-0719 Screening compound: N-(4-bromophenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide

C069-0719 Screening compound: N-(4-bromophenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide
C069-0719 Screening compound: N-(4-bromophenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C069-0719
N-(4-bromophenyl)-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

C069-0719

Molecular Formula

C17H24BrN3OS (C17 H24 BrN3 OS)

Compound Name

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

IUPAC name

N-(4-bromophenyl)-4-(446-trimethyl-2-sulfanylidene-13-diazinan-1-yl)butanamide

SMILES

CC(CC(C)(C)N1)N(CCCC(Nc(cc2)ccc2Br)=O)C1=S

InChI

InChI=1S/C17H24BrN3OS/c1-12-11-17(2,3)20-16(23)21(12)10-4-5-15(22)19-14-8-6-13(18)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,22)(H,20,23)/t12-/m0/s1

InChI Key

ZZUHCKPTKSKMET-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14716452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.37

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

3.223

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.50

Polar Surface Area

37.125

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

C069-0719 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C069-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C069-0719?
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What is the minimum amount of C069-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C069-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C069-0719
  • 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 C069-0719 available by request