M130-1005 Screening compound: 4-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-6-(4-methylphenyl)pyrimidine

M130-1005 Screening compound: 4-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-6-(4-methylphenyl)pyrimidine
M130-1005 Screening compound: 4-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-6-(4-methylphenyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound M130-1005
4-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-6-(4-methylphenyl)pyrimidine

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

M130-1005

Molecular Formula

C22H20ClFN4O (C22 H20 ClFN4 O)

Compound Name

4-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-6-(4-methylphenyl)pyrimidine

IUPAC name

4-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-6-(4-methylphenyl)pyrimidine

SMILES

Cc(cc1)ccc1-c1cc(N(CC2)CCN2C(c(ccc(F)c2)c2Cl)=O)ncn1

InChI

InChI=1S/C22H20ClFN4O/c1-15-2-4-16(5-3-15)20-13-21(26-14-25-20)27-8-10-28(11-9-27)22(29)18-7-6-17(24)12-19(18)23/h2-7,12-14H,8-11H2,1H3

InChI Key

IUWTUHGYQFOTFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27498575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.054

Distribution Coefficient, logD

5.039

Water Solubility, LogSw

-5.23

Polar Surface Area

39.149

Acid Dissociation Constant (pKa)

23.23

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

M130-1005 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M130-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M130-1005?
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What is the minimum amount of M130-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M130-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M130-1005
  • 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 M130-1005 available by request