8002-0413 Screening compound: 3-{[amino(phenylimino)methyl]sulfanyl}-1-(4-methoxyphenyl)-2,5-dioxopyrrolidine

8002-0413 Screening compound: 3-{[amino(phenylimino)methyl]sulfanyl}-1-(4-methoxyphenyl)-2,5-dioxopyrrolidine
8002-0413 Screening compound: 3-{[amino(phenylimino)methyl]sulfanyl}-1-(4-methoxyphenyl)-2,5-dioxopyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-0413
3-{[amino(phenylimino)methyl]sulfanyl}-1-(4-methoxyphenyl)-2,5-dioxopyrrolidine

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

8002-0413

Molecular Formula

C18H17N3O3S (C18 H17 N3 O3 S)

Compound Name

3-{[amino(phenylimino)methyl]sulfanyl}-1-(4-methoxyphenyl)-2,5-dioxopyrrolidine

IUPAC name

(E)-1-{[1-(4-methoxyphenyl)-25-dioxopyrrolidin-3-yl]sulfanyl}-N'-phenylmethanimidamide

SMILES

COc(cc1)ccc1N(C(CC1S/C(/N)=N/c2ccccc2)=O)C1=O

InChI

InChI=1S/C18H17N3O3S/c1-24-14-9-7-13(8-10-14)21-16(22)11-15(17(21)23)25-18(19)20-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H2,19,20)/t15-/m0/s1

InChI Key

NHDWRKZDZXTELC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00468480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.670

Distribution Coefficient, logD

1.665

Water Solubility, LogSw

-2.22

Polar Surface Area

65.177

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 8002-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-0413?
Check Price and Availability of 8002-0413, 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 8002-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-0413
  • 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 8002-0413 available by request