8018-2076 Screening compound: methyl 3,3,3-trifluoro-2-[(4-methoxyphenyl)formamido]propanoate

8018-2076 Screening compound: methyl 3,3,3-trifluoro-2-[(4-methoxyphenyl)formamido]propanoate
8018-2076 Screening compound: methyl 3,3,3-trifluoro-2-[(4-methoxyphenyl)formamido]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2076
methyl 3,3,3-trifluoro-2-[(4-methoxyphenyl)formamido]propanoate

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

8018-2076

Molecular Formula

C12H12F3NO4 (C12 H12 F3 NO4)

Compound Name

methyl 3,3,3-trifluoro-2-[(4-methoxyphenyl)formamido]propanoate

IUPAC name

methyl 333-trifluoro-2-[(4-methoxyphenyl)formamido]propanoate

SMILES

COC(C(C(F)(F)F)NC(c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C12H12F3NO4/c1-19-8-5-3-7(4-6-8)10(17)16-9(11(18)20-2)12(13,14)15/h3-6,9H,1-2H3,(H,16,17)/t9-/m1/s1

InChI Key

ROLHOHNROQYUDD-SECBINFHSA-N

MDL Number (MFCD)

MFCD00789183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.849

Distribution Coefficient, logD

1.635

Water Solubility, LogSw

-2.10

Polar Surface Area

52.993

Acid Dissociation Constant (pKa)

7.60

Base Dissociation Constant (pKb)

-8.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8018-2076 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-2076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2076?
Check Price and Availability of 8018-2076, 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 8018-2076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2076
  • 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 8018-2076 available by request