8012-5366 Screening compound: (2Z)-N-[4-(chlorodifluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide

8012-5366 Screening compound: (2Z)-N-[4-(chlorodifluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide
8012-5366 Screening compound: (2Z)-N-[4-(chlorodifluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5366
(2Z)-N-[4-(chlorodifluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-(phenylimino)-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

8012-5366

Molecular Formula

C26H22ClF2N3O4S (C26 H22 ClF2 N3 O4 S)

Compound Name

(2Z)-N-[4-(chlorodifluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide

IUPAC name

(2Z)-N-[4-(chlorodifluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-(phenylimino)-13-thiazinane-6-carboxamide

SMILES

COc1ccc(CN(C(CC(C(Nc(cc2)ccc2OC(F)(F)Cl)=O)S2)=O)/C2=N/c2ccccc2)cc1

InChI

InChI=1S/C26H22ClF2N3O4S/c1-35-20-11-7-17(8-12-20)16-32-23(33)15-22(37-25(32)31-18-5-3-2-4-6-18)24(34)30-19-9-13-21(14-10-19)36-26(27,28)29/h2-14,22H,15-16H2,1H3,(H,30,34)/t22-/m0/s1

InChI Key

XTFHKONRFOLEJE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03036364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.567

Distribution Coefficient, logD

5.566

Water Solubility, LogSw

-5.82

Polar Surface Area

62.180

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 8012-5366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5366?
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What is the minimum amount of 8012-5366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5366
  • 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 8012-5366 available by request