8012-2295 Screening compound: (2Z)-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-4-oxo-3-(2-phenylethyl)-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide

8012-2295 Screening compound: (2Z)-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-4-oxo-3-(2-phenylethyl)-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide
8012-2295 Screening compound: (2Z)-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-4-oxo-3-(2-phenylethyl)-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2295
(2Z)-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-4-oxo-3-(2-phenylethyl)-N-(4-propoxyphenyl)-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

8012-2295

Molecular Formula

C29H28ClF2N3O4S (C29 H28 ClF2 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cc1)ccc1NC(C(CC(N1CCc2ccccc2)=O)S/C1=N\c(cc1)ccc1OC(F)(F)Cl)=O

InChI

InChI=1S/C29H28ClF2N3O4S/c1-2-18-38-23-12-8-21(9-13-23)33-27(37)25-19-26(36)35(17-16-20-6-4-3-5-7-20)28(40-25)34-22-10-14-24(15-11-22)39-29(30,31)32/h3-15,25H,2,16-19H2,1H3,(H,33,37)/t25-/m0/s1

InChI Key

JVNDPPDPQWZJRG-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03035775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.07

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.764

Distribution Coefficient, logD

6.764

Water Solubility, LogSw

-6.11

Polar Surface Area

62.032

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

References: we are preparing a list of scientific research reports with 8012-2295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2295?
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What is the minimum amount of 8012-2295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2295
  • 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 8012-2295 available by request