M373-0078 Screening compound: 4-[1-(3,4-difluorobenzoyl)piperidin-3-yl]-N-phenylpyrimidin-2-amine

M373-0078 Screening compound: 4-[1-(3,4-difluorobenzoyl)piperidin-3-yl]-N-phenylpyrimidin-2-amine
M373-0078 Screening compound: 4-[1-(3,4-difluorobenzoyl)piperidin-3-yl]-N-phenylpyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound M373-0078
4-[1-(3,4-difluorobenzoyl)piperidin-3-yl]-N-phenylpyrimidin-2-amine

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

M373-0078

Molecular Formula

C22H20F2N4O (C22 H20 F2 N4 O)

Compound Name

4-[1-(3,4-difluorobenzoyl)piperidin-3-yl]-N-phenylpyrimidin-2-amine

IUPAC name

4-[1-(34-difluorobenzoyl)piperidin-3-yl]-N-phenylpyrimidin-2-amine

SMILES

O=C(c(cc1)cc(F)c1F)N(CCC1)CC1c1nc(Nc2ccccc2)ncc1

InChI

InChI=1S/C22H20F2N4O/c23-18-9-8-15(13-19(18)24)21(29)28-12-4-5-16(14-28)20-10-11-25-22(27-20)26-17-6-2-1-3-7-17/h1-3,6-11,13,16H,4-5,12,14H2,(H,25,26,27)/t16-/m0/s1

InChI Key

KXOMEIHFIRPVSB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27539142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.015

Distribution Coefficient, logD

4.014

Water Solubility, LogSw

-4.20

Polar Surface Area

45.598

Acid Dissociation Constant (pKa)

18.90

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

M373-0078 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M373-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M373-0078?
Check Price and Availability of M373-0078, 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 M373-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M373-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M373-0078
  • 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 M373-0078 available by request