8019-0738 Screening compound: methyl 2-(4-{[(4-chlorophenyl)carbamoyl]amino}-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate

8019-0738 Screening compound: methyl 2-(4-{[(4-chlorophenyl)carbamoyl]amino}-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
8019-0738 Screening compound: methyl 2-(4-{[(4-chlorophenyl)carbamoyl]amino}-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0738
methyl 2-(4-{[(4-chlorophenyl)carbamoyl]amino}-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate

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

8019-0738

Molecular Formula

C18H16ClF3N2O5 (C18 H16 ClF3 N2 O5)

Compound Name

methyl 2-(4-{[(4-chlorophenyl)carbamoyl]amino}-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate

IUPAC name

methyl 2-(4-{[(4-chlorophenyl)carbamoyl]amino}-3-methoxyphenyl)-333-trifluoro-2-hydroxypropanoate

SMILES

COC(C(C(F)(F)F)(c(cc1)cc(OC)c1NC(Nc(cc1)ccc1Cl)=O)O)=O

InChI

InChI=1S/C18H16ClF3N2O5/c1-28-14-9-10(17(27,15(25)29-2)18(20,21)22)3-8-13(14)24-16(26)23-12-6-4-11(19)5-7-12/h3-9,27H,1-2H3,(H2,23,24,26)/t17-/m1/s1

InChI Key

VVGWFFQNUYUDJT-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00789254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.341

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.53

Polar Surface Area

75.716

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 8019-0738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0738?
Check Price and Availability of 8019-0738, 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 8019-0738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0738
  • 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 8019-0738 available by request