8009-3031 Screening compound: (E)-N'-(3-chlorophenyl)-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-methylmethanimidamide

8009-3031 Screening compound: (E)-N'-(3-chlorophenyl)-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-methylmethanimidamide
8009-3031 Screening compound: (E)-N'-(3-chlorophenyl)-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-methylmethanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3031
(E)-N'-(3-chlorophenyl)-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-methylmethanimidamide

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

8009-3031

Molecular Formula

C19H18ClN3O3S (C19 H18 ClN3 O3 S)

Compound Name

(E)-N'-(3-chlorophenyl)-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-methylmethanimidamide

IUPAC name

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

SMILES

CN/C(/SC(CC(N1c(cc2)ccc2OC)=O)C1=O)=N\c1cccc(Cl)c1

InChI

InChI=1S/C19H18ClN3O3S/c1-21-19(22-13-5-3-4-12(20)10-13)27-16-11-17(24)23(18(16)25)14-6-8-15(26-2)9-7-14/h3-10,16H,11H2,1-2H3,(H,21,22)/t16-/m0/s1

InChI Key

IZAZLLHGHRHGQL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01448677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.991

Distribution Coefficient, logD

2.990

Water Solubility, LogSw

-3.56

Polar Surface Area

55.734

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

8009-3031 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-3031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3031?
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What is the minimum amount of 8009-3031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3031
  • 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 8009-3031 available by request