M179-4264 Screening compound: ethyl 4-(2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate

M179-4264 Screening compound: ethyl 4-(2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate
M179-4264 Screening compound: ethyl 4-(2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-4264
ethyl 4-(2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-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

M179-4264

Molecular Formula

C21H26N4O3S (C21 H26 N4 O3 S)

Compound Name

ethyl 4-(2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc1ncnc(N2C(C)CCCC2)c1)=O)=O

InChI

InChI=1S/C21H26N4O3S/c1-3-28-21(27)16-7-9-17(10-8-16)24-19(26)13-29-20-12-18(22-14-23-20)25-11-5-4-6-15(25)2/h7-10,12,14-15H,3-6,11,13H2,1-2H3,(H,24,26)/t15-/m0/s1

InChI Key

ROBJMHGWMQAZMC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27533389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.435

Distribution Coefficient, logD

4.435

Water Solubility, LogSw

-4.17

Polar Surface Area

65.242

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

M179-4264 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M179-4264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-4264?
Check Price and Availability of M179-4264, 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 M179-4264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-4264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-4264
  • 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 M179-4264 available by request