8010-5639 Screening compound: (E)-N-[4-(chlorodifluoromethoxy)phenyl]-1-{[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N'-(2-phenylethyl)methanimidamide

8010-5639 Screening compound: (E)-N-[4-(chlorodifluoromethoxy)phenyl]-1-{[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N'-(2-phenylethyl)methanimidamide
8010-5639 Screening compound: (E)-N-[4-(chlorodifluoromethoxy)phenyl]-1-{[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N'-(2-phenylethyl)methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5639
(E)-N-[4-(chlorodifluoromethoxy)phenyl]-1-{[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N'-(2-phenylethyl)methanimidamide

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

8010-5639

Molecular Formula

C28H26ClF2N3O3S (C28 H26 ClF2 N3 O3 S)

Compound Name

(E)-N-[4-(chlorodifluoromethoxy)phenyl]-1-{[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N'-(2-phenylethyl)methanimidamide

IUPAC name

(E)-N-[4-(chlorodifluoromethoxy)phenyl]-1-{[1-(24-dimethylphenyl)-25-dioxopyrrolidin-3-yl]sulfanyl}-N'-(2-phenylethyl)methanimidamide

SMILES

Cc(cc1)cc(C)c1N(C(CC1S/C(/Nc(cc2)ccc2OC(F)(F)Cl)=N/CCc2ccccc2)=O)C1=O

InChI

InChI=1S/C28H26ClF2N3O3S/c1-18-8-13-23(19(2)16-18)34-25(35)17-24(26(34)36)38-27(32-15-14-20-6-4-3-5-7-20)33-21-9-11-22(12-10-21)37-28(29,30)31/h3-13,16,24H,14-15,17H2,1-2H3,(H,32,33)/t24-/m0/s1

InChI Key

VSYDXTCZUVFPLJ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02110692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.854

Distribution Coefficient, logD

6.839

Water Solubility, LogSw

-6.17

Polar Surface Area

53.002

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8010-5639 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-5639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5639?
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What is the minimum amount of 8010-5639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5639
  • 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 8010-5639 available by request