M459-1045 Screening compound: methyl 2-[2-({4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamido]benzoate

M459-1045 Screening compound: methyl 2-[2-({4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
M459-1045 Screening compound: methyl 2-[2-({4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M459-1045
methyl 2-[2-({4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamido]benzoate

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

M459-1045

Molecular Formula

C25H27N5O4S (C25 H27 N5 O4 S)

Compound Name

methyl 2-[2-({4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamido]benzoate

IUPAC name

methyl 2-[2-({4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamido]benzoate

SMILES

COC(c(cccc1)c1NC(CSc1nc(N(CC2)CCN2c(cc2)ccc2OC)ccn1)=O)=O

InChI

InChI=1S/C25H27N5O4S/c1-33-19-9-7-18(8-10-19)29-13-15-30(16-14-29)22-11-12-26-25(28-22)35-17-23(31)27-21-6-4-3-5-20(21)24(32)34-2/h3-12H,13-17H2,1-2H3,(H,27,31)

InChI Key

YEAWLMVHDOHLNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.283

Distribution Coefficient, logD

4.270

Water Solubility, LogSw

-4.27

Polar Surface Area

75.038

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

M459-1045 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M459-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M459-1045?
Check Price and Availability of M459-1045, 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 M459-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M459-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M459-1045
  • 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 M459-1045 available by request