8014-8234 Screening compound: 3-butyl-2-[(3,5-dichloro-4-hydroxyphenyl)imino]-N~6~-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide

8014-8234 Screening compound: 3-butyl-2-[(3,5-dichloro-4-hydroxyphenyl)imino]-N~6~-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
8014-8234 Screening compound: 3-butyl-2-[(3,5-dichloro-4-hydroxyphenyl)imino]-N~6~-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8234
3-butyl-2-[(3,5-dichloro-4-hydroxyphenyl)imino]-N~6~-(4-ethoxyphenyl)-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

8014-8234

Molecular Formula

C23H25Cl2N3O4S (C23 H25 Cl2 N3 O4 S)

Compound Name

3-butyl-2-[(3,5-dichloro-4-hydroxyphenyl)imino]-N~6~-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide

IUPAC name

(2Z)-3-butyl-2-[(35-dichloro-4-hydroxyphenyl)imino]-N-(4-ethoxyphenyl)-4-oxo-13-thiazinane-6-carboxamide

SMILES

CCCCN(C(CC(C(Nc(cc1)ccc1OCC)=O)S1)=O)/C1=N/c(cc1Cl)cc(Cl)c1O

InChI

InChI=1S/C23H25Cl2N3O4S/c1-3-5-10-28-20(29)13-19(22(31)26-14-6-8-16(9-7-14)32-4-2)33-23(28)27-15-11-17(24)21(30)18(25)12-15/h6-9,11-12,19,30H,3-5,10,13H2,1-2H3,(H,26,31)/t19-/m0/s1

InChI Key

LOHXNRBXGGMCRL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03820209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.947

Distribution Coefficient, logD

5.455

Water Solubility, LogSw

-5.55

Polar Surface Area

70.991

Acid Dissociation Constant (pKa)

7.08

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

References: we are preparing a list of scientific research reports with 8014-8234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8234?
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What is the minimum amount of 8014-8234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8234
  • 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 8014-8234 available by request