8009-0069 Screening compound: 2-{2-[(4-fluorophenyl)imino]-3-methyl-4-oxo-1,3-thiazolan-5-yl}-N~1~-(2-methylphenyl)acetamide

8009-0069 Screening compound: 2-{2-[(4-fluorophenyl)imino]-3-methyl-4-oxo-1,3-thiazolan-5-yl}-N~1~-(2-methylphenyl)acetamide
8009-0069 Screening compound: 2-{2-[(4-fluorophenyl)imino]-3-methyl-4-oxo-1,3-thiazolan-5-yl}-N~1~-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0069
2-{2-[(4-fluorophenyl)imino]-3-methyl-4-oxo-1,3-thiazolan-5-yl}-N~1~-(2-methylphenyl)acetamide

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

8009-0069

Molecular Formula

C19H18FN3O2S (C19 H18 FN3 O2 S)

Compound Name

2-{2-[(4-fluorophenyl)imino]-3-methyl-4-oxo-1,3-thiazolan-5-yl}-N~1~-(2-methylphenyl)acetamide

IUPAC name

2-[(2E)-2-[(4-fluorophenyl)imino]-3-methyl-4-oxo-13-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide

SMILES

Cc(cccc1)c1NC(CC(C(N1C)=O)S/C1=N/c(cc1)ccc1F)=O

InChI

InChI=1S/C19H18FN3O2S/c1-12-5-3-4-6-15(12)22-17(24)11-16-18(25)23(2)19(26-16)21-14-9-7-13(20)8-10-14/h3-10,16H,11H2,1-2H3,(H,22,24)/t16-/m0/s1

InChI Key

DEGZRMHXNUZMMB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02303658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.721

Distribution Coefficient, logD

2.721

Water Solubility, LogSw

-3.13

Polar Surface Area

47.353

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.05

References: we are preparing a list of scientific research reports with 8009-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0069?
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What is the minimum amount of 8009-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0069
  • 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 8009-0069 available by request