8012-2292 Screening compound: (2Z)-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide

8012-2292 Screening compound: (2Z)-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
8012-2292 Screening compound: (2Z)-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2292
(2Z)-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide

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

8012-2292

Molecular Formula

C20H16Cl3F2N3O3S (C20 H16 Cl3 F2 N3 O3 S)

Compound Name

(2Z)-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide

IUPAC name

(2Z)-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-N-(34-dichlorophenyl)-3-ethyl-4-oxo-13-thiazinane-6-carboxamide

SMILES

CCN(C(CC(C(Nc(cc1)cc(Cl)c1Cl)=O)S1)=O)/C1=N/c(cc1)ccc1OC(F)(F)Cl

InChI

InChI=1S/C20H16Cl3F2N3O3S/c1-2-28-17(29)10-16(18(30)26-12-5-8-14(21)15(22)9-12)32-19(28)27-11-3-6-13(7-4-11)31-20(23,24)25/h3-9,16H,2,10H2,1H3,(H,26,30)/t16-/m0/s1

InChI Key

BNRYOANPOKWDRL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03035772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.79

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

5.878

Distribution Coefficient, logD

5.861

Water Solubility, LogSw

-6.07

Polar Surface Area

54.632

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8012-2292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2292?
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What is the minimum amount of 8012-2292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2292
  • 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 8012-2292 available by request