M180-0543 Screening compound: ethyl 4-[2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamido]benzoate

M180-0543 Screening compound: ethyl 4-[2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamido]benzoate
M180-0543 Screening compound: ethyl 4-[2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M180-0543
ethyl 4-[2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamido]benzoate

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

M180-0543

Molecular Formula

C23H20F3N3O4 (C23 H20 F3 N3 O4)

Compound Name

ethyl 4-[2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamido]benzoate

IUPAC name

ethyl 4-[2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(COc1cc(C)nc(-c2ccc(C(F)(F)F)cc2)n1)=O)=O

InChI

InChI=1S/C23H20F3N3O4/c1-3-32-22(31)16-6-10-18(11-7-16)28-19(30)13-33-20-12-14(2)27-21(29-20)15-4-8-17(9-5-15)23(24,25)26/h4-12H,3,13H2,1-2H3,(H,28,30)

InChI Key

UNXZZDWDURTASJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.028

Distribution Coefficient, logD

6.028

Water Solubility, LogSw

-5.51

Polar Surface Area

69.376

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

M180-0543 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M180-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M180-0543?
Check Price and Availability of M180-0543, 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 M180-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M180-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M180-0543
  • 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 M180-0543 available by request