8012-2290 Screening compound: (2Z)-3-benzyl-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-N-(4-chlorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide

8012-2290 Screening compound: (2Z)-3-benzyl-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-N-(4-chlorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
8012-2290 Screening compound: (2Z)-3-benzyl-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-N-(4-chlorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2290
(2Z)-3-benzyl-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-N-(4-chlorophenyl)-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

8012-2290

Molecular Formula

C25H19Cl2F2N3O3S (C25 H19 Cl2 F2 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC(N1Cc2ccccc2)=O)S/C1=N\c(cc1)ccc1OC(F)(F)Cl)Nc(cc1)ccc1Cl

InChI

InChI=1S/C25H19Cl2F2N3O3S/c26-17-6-8-18(9-7-17)30-23(34)21-14-22(33)32(15-16-4-2-1-3-5-16)24(36-21)31-19-10-12-20(13-11-19)35-25(27,28)29/h1-13,21H,14-15H2,(H,30,34)/t21-/m0/s1

InChI Key

AEJQFNRIBJBSNP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03035770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.41

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

6.301

Distribution Coefficient, logD

6.299

Water Solubility, LogSw

-6.23

Polar Surface Area

54.636

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 8012-2290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2290?
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What is the minimum amount of 8012-2290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2290
  • 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 8012-2290 available by request