8015-6386 Screening compound: methyl 3,3,3-trifluoro-2-{[(2-methoxyanilino)carbonyl]amino}-2-phenoxypropanoate

8015-6386 Screening compound: methyl 3,3,3-trifluoro-2-{[(2-methoxyanilino)carbonyl]amino}-2-phenoxypropanoate
8015-6386 Screening compound: methyl 3,3,3-trifluoro-2-{[(2-methoxyanilino)carbonyl]amino}-2-phenoxypropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6386
methyl 3,3,3-trifluoro-2-{[(2-methoxyanilino)carbonyl]amino}-2-phenoxypropanoate

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

8015-6386

Molecular Formula

C18H17F3N2O5 (C18 H17 F3 N2 O5)

Compound Name

methyl 3,3,3-trifluoro-2-{[(2-methoxyanilino)carbonyl]amino}-2-phenoxypropanoate

IUPAC name

methyl 333-trifluoro-2-{[(2-methoxyphenyl)carbamoyl]amino}-2-phenoxypropanoate

SMILES

COC(C(C(F)(F)F)(NC(Nc(cccc1)c1OC)=O)Oc1ccccc1)=O

InChI

InChI=1S/C18H17F3N2O5/c1-26-14-11-7-6-10-13(14)22-16(25)23-17(15(24)27-2,18(19,20)21)28-12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,22,23,25)/t17-/m1/s1

InChI Key

NHDVVOKUFRBZKD-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD05257273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

3.951

Water Solubility, LogSw

-4.35

Polar Surface Area

68.619

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

8015-6386 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-6386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6386?
Check Price and Availability of 8015-6386, 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 8015-6386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6386
  • 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 8015-6386 available by request