8009-2005 Screening compound: 1-(4-iodophenyl)-3-{[(methylamino)(methylimino)methyl]sulfanyl}-2,5-dioxopyrrolidine

8009-2005 Screening compound: 1-(4-iodophenyl)-3-{[(methylamino)(methylimino)methyl]sulfanyl}-2,5-dioxopyrrolidine
8009-2005 Screening compound: 1-(4-iodophenyl)-3-{[(methylamino)(methylimino)methyl]sulfanyl}-2,5-dioxopyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2005
1-(4-iodophenyl)-3-{[(methylamino)(methylimino)methyl]sulfanyl}-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

8009-2005

Molecular Formula

C13H14IN3O2S (C13 H14 IN3 O2 S)

Compound Name

1-(4-iodophenyl)-3-{[(methylamino)(methylimino)methyl]sulfanyl}-2,5-dioxopyrrolidine

IUPAC name

(E)-1-{[1-(4-iodophenyl)-25-dioxopyrrolidin-3-yl]sulfanyl}-NN'-dimethylmethanimidamide

SMILES

CN/C(/SC(CC(N1c(cc2)ccc2I)=O)C1=O)=N\C

InChI

InChI=1S/C13H14IN3O2S/c1-15-13(16-2)20-10-7-11(18)17(12(10)19)9-5-3-8(14)4-6-9/h3-6,10H,7H2,1-2H3,(H,15,16)/t10-/m1/s1

InChI Key

FOFJNAKKMSFVBN-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD01461892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.040

Distribution Coefficient, logD

1.375

Water Solubility, LogSw

-2.79

Polar Surface Area

51.215

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

References: we are preparing a list of scientific research reports with 8009-2005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2005?
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What is the minimum amount of 8009-2005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2005
  • 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 8009-2005 available by request