8009-5203 Screening compound: methyl 4-(3-{[(E)-N'-(2,5-dichlorophenyl)-N-methylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate

8009-5203 Screening compound: methyl 4-(3-{[(E)-N'-(2,5-dichlorophenyl)-N-methylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
8009-5203 Screening compound: methyl 4-(3-{[(E)-N'-(2,5-dichlorophenyl)-N-methylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5203
methyl 4-(3-{[(E)-N'-(2,5-dichlorophenyl)-N-methylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate

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

8009-5203

Molecular Formula

C20H17Cl2N3O4S (C20 H17 Cl2 N3 O4 S)

Compound Name

methyl 4-(3-{[(E)-N'-(2,5-dichlorophenyl)-N-methylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate

IUPAC name

methyl 4-(3-{[(E)-N'-(25-dichlorophenyl)-N-methylcarbamimidoyl]sulfanyl}-25-dioxopyrrolidin-1-yl)benzoate

SMILES

CN/C(/SC(CC(N1c(cc2)ccc2C(OC)=O)=O)C1=O)=N\c(cc(cc1)Cl)c1Cl

InChI

InChI=1S/C20H17Cl2N3O4S/c1-23-20(24-15-9-12(21)5-8-14(15)22)30-16-10-17(26)25(18(16)27)13-6-3-11(4-7-13)19(28)29-2/h3-9,16H,10H2,1-2H3,(H,23,24)/t16-/m0/s1

InChI Key

AFXPYHKXSBBVDU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01628902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.340

Distribution Coefficient, logD

3.339

Water Solubility, LogSw

-3.77

Polar Surface Area

68.666

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8009-5203 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-5203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5203?
Check Price and Availability of 8009-5203, 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 8009-5203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5203
  • 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 8009-5203 available by request