8010-5637 Screening compound: 3-{[{4-[chloro(difluoro)methoxy]anilino}(ethylimino)methyl]sulfanyl}-1-(4-iodophenyl)-2,5-dioxopyrrolidine

8010-5637 Screening compound: 3-{[{4-[chloro(difluoro)methoxy]anilino}(ethylimino)methyl]sulfanyl}-1-(4-iodophenyl)-2,5-dioxopyrrolidine
8010-5637 Screening compound: 3-{[{4-[chloro(difluoro)methoxy]anilino}(ethylimino)methyl]sulfanyl}-1-(4-iodophenyl)-2,5-dioxopyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5637
3-{[{4-[chloro(difluoro)methoxy]anilino}(ethylimino)methyl]sulfanyl}-1-(4-iodophenyl)-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

8010-5637

Molecular Formula

C20H17ClF2IN3O3S (C20 H17 ClF2 IN3 O3 S)

Compound Name

3-{[{4-[chloro(difluoro)methoxy]anilino}(ethylimino)methyl]sulfanyl}-1-(4-iodophenyl)-2,5-dioxopyrrolidine

IUPAC name

(Z)-N-[4-(chlorodifluoromethoxy)phenyl]-N'-ethyl-1-{[1-(4-iodophenyl)-25-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide

SMILES

CC/N=C(/Nc(cc1)ccc1OC(F)(F)Cl)\SC(CC(N1c(cc2)ccc2I)=O)C1=O

InChI

InChI=1S/C20H17ClF2IN3O3S/c1-2-25-19(26-13-5-9-15(10-6-13)30-20(21,22)23)31-16-11-17(28)27(18(16)29)14-7-3-12(24)4-8-14/h3-10,16H,2,11H2,1H3,(H,25,26)/t16-/m1/s1

InChI Key

KNNQBDQWPUNFQK-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02110690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.447

Distribution Coefficient, logD

5.432

Water Solubility, LogSw

-5.86

Polar Surface Area

53.359

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8010-5637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5637?
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What is the minimum amount of 8010-5637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5637
  • 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 8010-5637 available by request