8006-5461 Screening compound: (Z)-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N,N'-diphenylmethanimidamide

8006-5461 Screening compound: (Z)-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N,N'-diphenylmethanimidamide
8006-5461 Screening compound: (Z)-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N,N'-diphenylmethanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5461
(Z)-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N,N'-diphenylmethanimidamide

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

8006-5461

Molecular Formula

C24H21N3O3S (C24 H21 N3 O3 S)

Compound Name

(Z)-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N,N'-diphenylmethanimidamide

IUPAC name

(Z)-1-{[1-(4-methoxyphenyl)-25-dioxopyrrolidin-3-yl]sulfanyl}-NN'-diphenylmethanimidamide

SMILES

COc(cc1)ccc1N(C(CC1S/C(/Nc2ccccc2)=N\c2ccccc2)=O)C1=O

InChI

InChI=1S/C24H21N3O3S/c1-30-20-14-12-19(13-15-20)27-22(28)16-21(23(27)29)31-24(25-17-8-4-2-5-9-17)26-18-10-6-3-7-11-18/h2-15,21H,16H2,1H3,(H,25,26)/t21-/m0/s1

InChI Key

OEZHVAZOZSUVCH-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00759051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.769

Distribution Coefficient, logD

3.769

Water Solubility, LogSw

-4.14

Polar Surface Area

53.989

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8006-5461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5461?
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What is the minimum amount of 8006-5461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5461
  • 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 8006-5461 available by request