8602-0134 Screening compound: methyl 3,3,3-trifluoro-2-{[(4-fluorophenyl)carbamoyl]amino}-2-phenoxypropanoate

8602-0134 Screening compound: methyl 3,3,3-trifluoro-2-{[(4-fluorophenyl)carbamoyl]amino}-2-phenoxypropanoate
8602-0134 Screening compound: methyl 3,3,3-trifluoro-2-{[(4-fluorophenyl)carbamoyl]amino}-2-phenoxypropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0134
methyl 3,3,3-trifluoro-2-{[(4-fluorophenyl)carbamoyl]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

8602-0134

Molecular Formula

C17H14F4N2O4 (C17 H14 F4 N2 O4)

Compound Name

methyl 3,3,3-trifluoro-2-{[(4-fluorophenyl)carbamoyl]amino}-2-phenoxypropanoate

IUPAC name

methyl 333-trifluoro-2-{[(4-fluorophenyl)carbamoyl]amino}-2-phenoxypropanoate

SMILES

COC(C(C(F)(F)F)(NC(Nc(cc1)ccc1F)=O)Oc1ccccc1)=O

InChI

InChI=1S/C17H14F4N2O4/c1-26-14(24)16(17(19,20)21,27-13-5-3-2-4-6-13)23-15(25)22-12-9-7-11(18)8-10-12/h2-10H,1H3,(H2,22,23,25)/t16-/m1/s1

InChI Key

CMYUJHXEABIVOY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD04061818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.321

Distribution Coefficient, logD

4.022

Water Solubility, LogSw

-4.44

Polar Surface Area

61.686

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

8602-0134 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8602-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0134?
Check Price and Availability of 8602-0134, 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 8602-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0134
  • 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 8602-0134 available by request