8007-3644 Screening compound: N-[(furan-2-yl)methyl]-3-(4-methoxyphenyl)-3-(2,2,2-trifluoroacetamido)propanamide

8007-3644 Screening compound: N-[(furan-2-yl)methyl]-3-(4-methoxyphenyl)-3-(2,2,2-trifluoroacetamido)propanamide
8007-3644 Screening compound: N-[(furan-2-yl)methyl]-3-(4-methoxyphenyl)-3-(2,2,2-trifluoroacetamido)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-3644
N-[(furan-2-yl)methyl]-3-(4-methoxyphenyl)-3-(2,2,2-trifluoroacetamido)propanamide

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

8007-3644

Molecular Formula

C17H17F3N2O4 (C17 H17 F3 N2 O4)

Compound Name

N-[(furan-2-yl)methyl]-3-(4-methoxyphenyl)-3-(2,2,2-trifluoroacetamido)propanamide

IUPAC name

N-[(furan-2-yl)methyl]-3-(4-methoxyphenyl)-3-(222-trifluoroacetamido)propanamide

SMILES

COc1ccc(C(CC(NCc2ccco2)=O)NC(C(F)(F)F)=O)cc1

InChI

InChI=1S/C17H17F3N2O4/c1-25-12-6-4-11(5-7-12)14(22-16(24)17(18,19)20)9-15(23)21-10-13-3-2-8-26-13/h2-8,14H,9-10H2,1H3,(H,21,23)(H,22,24)/t14-/m0/s1

InChI Key

RHSZNHSUYQVKLR-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01304544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.710

Distribution Coefficient, logD

2.710

Water Solubility, LogSw

-2.97

Polar Surface Area

64.046

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

8007-3644 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8007-3644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-3644?
Check Price and Availability of 8007-3644, 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 8007-3644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-3644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-3644
  • 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 8007-3644 available by request