4143-0070 Screening compound: N-[(E)-[1-(2-hydroxyphenyl)ethylidene]amino]-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide

4143-0070 Screening compound: N-[(E)-[1-(2-hydroxyphenyl)ethylidene]amino]-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide
4143-0070 Screening compound: N-[(E)-[1-(2-hydroxyphenyl)ethylidene]amino]-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4143-0070
N-[(E)-[1-(2-hydroxyphenyl)ethylidene]amino]-1-{[1-(4-methoxyphenyl)-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

4143-0070

Molecular Formula

C20H20N4O4S (C20 H20 N4 O4 S)

Compound Name

N-[(E)-[1-(2-hydroxyphenyl)ethylidene]amino]-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide

IUPAC name

N-[(E)-[1-(2-hydroxyphenyl)ethylidene]amino]-1-{[1-(4-methoxyphenyl)-25-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide

SMILES

C/C(/c(cccc1)c1O)=N\NC(SC(CC(N1c(cc2)ccc2OC)=O)C1=O)=N

InChI

InChI=1S/C20H20N4O4S/c1-12(15-5-3-4-6-16(15)25)22-23-20(21)29-17-11-18(26)24(19(17)27)13-7-9-14(28-2)10-8-13/h3-10,17,25H,11H2,1-2H3,(H2,21,23)/t17-/m0/s1

InChI Key

XDXZFJRTEKOUBV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01445774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.693

Distribution Coefficient, logD

1.478

Water Solubility, LogSw

-3.12

Polar Surface Area

93.225

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

8.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 4143-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4143-0070?
Check Price and Availability of 4143-0070, 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 4143-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4143-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4143-0070
  • 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 4143-0070 available by request