8009-9217 Screening compound: (Z)-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-{[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-methylmethanimidamide

8009-9217 Screening compound: (Z)-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-{[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-methylmethanimidamide
8009-9217 Screening compound: (Z)-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-{[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-methylmethanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9217
(Z)-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-{[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-methylmethanimidamide

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

8009-9217

Molecular Formula

C19H13Cl3F3N3O2S (C19 H13 Cl3 F3 N3 O2 S)

Compound Name

(Z)-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-{[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-methylmethanimidamide

IUPAC name

(Z)-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-{[1-(35-dichlorophenyl)-25-dioxopyrrolidin-3-yl]sulfanyl}-N-methylmethanimidamide

SMILES

CN/C(/SC(CC(N1c2cc(Cl)cc(Cl)c2)=O)C1=O)=N/c(cc1)cc(C(F)(F)F)c1Cl

InChI

InChI=1S/C19H13Cl3F3N3O2S/c1-26-18(27-11-2-3-14(22)13(7-11)19(23,24)25)31-15-8-16(29)28(17(15)30)12-5-9(20)4-10(21)6-12/h2-7,15H,8H2,1H3,(H,26,27)/t15-/m0/s1

InChI Key

IECQBKJOQHKDIF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02646588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.178

Distribution Coefficient, logD

5.171

Water Solubility, LogSw

-5.46

Polar Surface Area

48.190

Acid Dissociation Constant (pKa)

16.66

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 8009-9217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9217?
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What is the minimum amount of 8009-9217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9217
  • 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 8009-9217 available by request