M184-0133 Screening compound: tert-butyl 4-[4-amino-5-(4-methylbenzenesulfonyl)pyrimidin-2-yl]piperazine-1-carboxylate

M184-0133 Screening compound: tert-butyl 4-[4-amino-5-(4-methylbenzenesulfonyl)pyrimidin-2-yl]piperazine-1-carboxylate
M184-0133 Screening compound: tert-butyl 4-[4-amino-5-(4-methylbenzenesulfonyl)pyrimidin-2-yl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M184-0133
tert-butyl 4-[4-amino-5-(4-methylbenzenesulfonyl)pyrimidin-2-yl]piperazine-1-carboxylate

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

M184-0133

Molecular Formula

C20H27N5O4S (C20 H27 N5 O4 S)

Compound Name

tert-butyl 4-[4-amino-5-(4-methylbenzenesulfonyl)pyrimidin-2-yl]piperazine-1-carboxylate

IUPAC name

tert-butyl 4-[4-amino-5-(4-methylbenzenesulfonyl)pyrimidin-2-yl]piperazine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCN1c(nc1)nc(N)c1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C20H27N5O4S/c1-14-5-7-15(8-6-14)30(27,28)16-13-22-18(23-17(16)21)24-9-11-25(12-10-24)19(26)29-20(2,3)4/h5-8,13H,9-12H2,1-4H3,(H2,21,22,23)

InChI Key

PAQDJEBPQPVAGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20751722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.189

Distribution Coefficient, logD

3.189

Water Solubility, LogSw

-3.46

Polar Surface Area

93.798

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

M184-0133 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with M184-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M184-0133?
Check Price and Availability of M184-0133, 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 M184-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M184-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M184-0133
  • 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 M184-0133 available by request