M180-0525 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamide

M180-0525 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamide
M180-0525 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M180-0525
N-(2H-1,3-benzodioxol-5-yl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamide

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

M180-0525

Molecular Formula

C21H16F3N3O4 (C21 H16 F3 N3 O4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamide

SMILES

Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(OCC(Nc(cc2)cc3c2OCO3)=O)c1

InChI

InChI=1S/C21H16F3N3O4/c1-12-8-19(27-20(25-12)13-2-4-14(5-3-13)21(22,23)24)29-10-18(28)26-15-6-7-16-17(9-15)31-11-30-16/h2-9H,10-11H2,1H3,(H,26,28)

InChI Key

HQLWZANDMSYOHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.260

Distribution Coefficient, logD

5.260

Water Solubility, LogSw

-5.12

Polar Surface Area

65.737

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with M180-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M180-0525?
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What is the minimum amount of M180-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M180-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M180-0525
  • 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 M180-0525 available by request