M180-0591 Screening compound: N-(4-bromo-2-methylphenyl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamide

M180-0591 Screening compound: N-(4-bromo-2-methylphenyl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamide
M180-0591 Screening compound: N-(4-bromo-2-methylphenyl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M180-0591
N-(4-bromo-2-methylphenyl)-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

M180-0591

Molecular Formula

C21H17BrF3N3O2 (C21 H17 BrF3 N3 O2)

Compound Name

N-(4-bromo-2-methylphenyl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamide

IUPAC name

N-(4-bromo-2-methylphenyl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)acetamide

SMILES

Cc(cc(cc1)Br)c1NC(COc1nc(-c2ccc(C(F)(F)F)cc2)nc(C)c1)=O

InChI

InChI=1S/C21H17BrF3N3O2/c1-12-9-16(22)7-8-17(12)27-18(29)11-30-19-10-13(2)26-20(28-19)14-3-5-15(6-4-14)21(23,24)25/h3-10H,11H2,1-2H3,(H,27,29)

InChI Key

QPHYENIENDCFRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.245

Distribution Coefficient, logD

6.245

Water Solubility, LogSw

-5.51

Polar Surface Area

47.924

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

M180-0591 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M180-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M180-0591?
Check Price and Availability of M180-0591, 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 M180-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M180-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M180-0591
  • 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 M180-0591 available by request