5742-0594 Screening compound: N-(prop-2-en-1-yl){[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}methanimidamide

5742-0594 Screening compound: N-(prop-2-en-1-yl){[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}methanimidamide
5742-0594 Screening compound: N-(prop-2-en-1-yl){[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5742-0594
N-(prop-2-en-1-yl){[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]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

5742-0594

Molecular Formula

C13H14N4OS (C13 H14 N4 OS)

Compound Name

N-(prop-2-en-1-yl){[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}methanimidamide

IUPAC name

N-(prop-2-en-1-yl){[(4-oxo-34-dihydroquinazolin-2-yl)methyl]sulfanyl}methanimidamide

SMILES

C=CCNC(SCC(N1)=Nc(cccc2)c2C1=O)=N

InChI

InChI=1S/C13H14N4OS/c1-2-7-15-13(14)19-8-11-16-10-6-4-3-5-9(10)12(18)17-11/h2-6H,1,7-8H2,(H2,14,15)(H,16,17,18)

InChI Key

DDQJKXKSXMYPGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03784271

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

274.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.927

Distribution Coefficient, logD

0.188

Water Solubility, LogSw

-2.40

Polar Surface Area

64.798

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

8.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 5742-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5742-0594?
Check Price and Availability of 5742-0594, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5742-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5742-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5742-0594
  • 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 5742-0594 available by request