8016-4259 Screening compound: ethyl 4-({2-[2-[(2-fluorophenyl)imino]-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazolan-5-yl]acetyl}amino)benzoate

8016-4259 Screening compound: ethyl 4-({2-[2-[(2-fluorophenyl)imino]-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazolan-5-yl]acetyl}amino)benzoate
8016-4259 Screening compound: ethyl 4-({2-[2-[(2-fluorophenyl)imino]-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazolan-5-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4259
ethyl 4-({2-[2-[(2-fluorophenyl)imino]-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazolan-5-yl]acetyl}amino)benzoate

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

8016-4259

Molecular Formula

C29H28FN3O5S (C29 H28 FN3 O5 S)

Compound Name

ethyl 4-({2-[2-[(2-fluorophenyl)imino]-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazolan-5-yl]acetyl}amino)benzoate

IUPAC name

n/a

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N1CCc(cc2)ccc2OC)=O)S/C1=N\c(cccc1)c1F)=O)=O

InChI

InChI=1S/C29H28FN3O5S/c1-3-38-28(36)20-10-12-21(13-11-20)31-26(34)18-25-27(35)33(17-16-19-8-14-22(37-2)15-9-19)29(39-25)32-24-7-5-4-6-23(24)30/h4-15,25H,3,16-18H2,1-2H3,(H,31,34)/t25-/m0/s1

InChI Key

UYLHUSYTENYPJN-VWLOTQADSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.404

Distribution Coefficient, logD

5.403

Water Solubility, LogSw

-5.32

Polar Surface Area

75.591

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with 8016-4259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4259?
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What is the minimum amount of 8016-4259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4259
  • 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 8016-4259 available by request