M180-0526 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamide

M180-0526 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamide
M180-0526 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M180-0526
N-(2,3-dihydro-1,4-benzodioxin-6-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

M180-0526

Molecular Formula

C22H18F3N3O4 (C22 H18 F3 N3 O4)

Compound Name

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

IUPAC name

N-(23-dihydro-14-benzodioxin-6-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)cc3c2OCCO3)=O)c1

InChI

InChI=1S/C22H18F3N3O4/c1-13-10-20(28-21(26-13)14-2-4-15(5-3-14)22(23,24)25)32-12-19(29)27-16-6-7-17-18(11-16)31-9-8-30-17/h2-7,10-11H,8-9,12H2,1H3,(H,27,29)

InChI Key

OAYYQJBJDAYYQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.4

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

4.399

Distribution Coefficient, logD

4.399

Water Solubility, LogSw

-4.39

Polar Surface Area

64.445

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

M180-0526 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with M180-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M180-0526?
Check Price and Availability of M180-0526, 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 M180-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M180-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M180-0526
  • 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 M180-0526 available by request