8006-4304 Screening compound: (Z)-N,N'-diethyl-1-({1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)methanimidamide

8006-4304 Screening compound: (Z)-N,N'-diethyl-1-({1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)methanimidamide
8006-4304 Screening compound: (Z)-N,N'-diethyl-1-({1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4304
(Z)-N,N'-diethyl-1-({1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)methanimidamide

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

8006-4304

Molecular Formula

C21H31N3O3S (C21 H31 N3 O3 S)

Compound Name

(Z)-N,N'-diethyl-1-({1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)methanimidamide

IUPAC name

(Z)-NN'-diethyl-1-({1-[4-(hexyloxy)phenyl]-25-dioxopyrrolidin-3-yl}sulfanyl)methanimidamide

SMILES

CCCCCCOc(cc1)ccc1N(C(CC1S/C(/NCC)=N\CC)=O)C1=O

InChI

InChI=1S/C21H31N3O3S/c1-4-7-8-9-14-27-17-12-10-16(11-13-17)24-19(25)15-18(20(24)26)28-21(22-5-2)23-6-3/h10-13,18H,4-9,14-15H2,1-3H3,(H,22,23)/t18-/m0/s1

InChI Key

SINCGSIIDIPGQV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00759044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.172

Distribution Coefficient, logD

3.897

Water Solubility, LogSw

-4.00

Polar Surface Area

55.499

Acid Dissociation Constant (pKa)

16.10

Base Dissociation Constant (pKb)

7.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

8006-4304 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8006-4304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4304?
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What is the minimum amount of 8006-4304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4304
  • 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 8006-4304 available by request