8016-4261 Screening compound: 2-{3-(2-fluorophenethyl)-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazolan-5-yl}-N~1~-(4-methoxyphenyl)acetamide

8016-4261 Screening compound: 2-{3-(2-fluorophenethyl)-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazolan-5-yl}-N~1~-(4-methoxyphenyl)acetamide
8016-4261 Screening compound: 2-{3-(2-fluorophenethyl)-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazolan-5-yl}-N~1~-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4261
2-{3-(2-fluorophenethyl)-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazolan-5-yl}-N~1~-(4-methoxyphenyl)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

8016-4261

Molecular Formula

C26H23F2N3O3S (C26 H23 F2 N3 O3 S)

Compound Name

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

IUPAC name

n/a

SMILES

COc(cc1)ccc1NC(CC(C(N1CCc(cccc2)c2F)=O)S/C1=N\c(cc1)ccc1F)=O

InChI

InChI=1S/C26H23F2N3O3S/c1-34-21-12-10-19(11-13-21)29-24(32)16-23-25(33)31(15-14-17-4-2-3-5-22(17)28)26(35-23)30-20-8-6-18(27)7-9-20/h2-13,23H,14-16H2,1H3,(H,29,32)/t23-/m0/s1

InChI Key

AISJKFHADYICOS-QHCPKHFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.026

Distribution Coefficient, logD

5.026

Water Solubility, LogSw

-4.52

Polar Surface Area

55.536

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 8016-4261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4261?
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What is the minimum amount of 8016-4261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4261
  • 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 8016-4261 available by request