5999-4669 Screening compound: ethyl 2-[2-(4-fluorophenoxy)propanamido]-4-phenylthiophene-3-carboxylate

5999-4669 Screening compound: ethyl 2-[2-(4-fluorophenoxy)propanamido]-4-phenylthiophene-3-carboxylate
5999-4669 Screening compound: ethyl 2-[2-(4-fluorophenoxy)propanamido]-4-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5999-4669
ethyl 2-[2-(4-fluorophenoxy)propanamido]-4-phenylthiophene-3-carboxylate

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

5999-4669

Molecular Formula

C22H20FNO4S (C22 H20 FNO4 S)

Compound Name

ethyl 2-[2-(4-fluorophenoxy)propanamido]-4-phenylthiophene-3-carboxylate

IUPAC name

ethyl 2-[2-(4-fluorophenoxy)propanamido]-4-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(C)Oc(cc2)ccc2F)=O)scc1-c1ccccc1)=O

InChI

InChI=1S/C22H20FNO4S/c1-3-27-22(26)19-18(15-7-5-4-6-8-15)13-29-21(19)24-20(25)14(2)28-17-11-9-16(23)10-12-17/h4-14H,3H2,1-2H3,(H,24,25)/t14-/m0/s1

InChI Key

JYEWXDUSNLWGGL-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03861365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.917

Distribution Coefficient, logD

4.889

Water Solubility, LogSw

-4.67

Polar Surface Area

50.395

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-7.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 5999-4669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5999-4669?
Check Price and Availability of 5999-4669, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5999-4669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5999-4669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5999-4669
  • 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 5999-4669 available by request