M503-0902 Screening compound: tert-butyl 4-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperazine-1-carboxylate

M503-0902 Screening compound: tert-butyl 4-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperazine-1-carboxylate
M503-0902 Screening compound: tert-butyl 4-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M503-0902
tert-butyl 4-[4-amino-5-(phenylcarbamoyl)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

M503-0902

Molecular Formula

C20H26N6O3 (C20 H26 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)OC(N(CC1)CCN1c(nc1)nc(N)c1C(Nc1ccccc1)=O)=O

InChI

InChI=1S/C20H26N6O3/c1-20(2,3)29-19(28)26-11-9-25(10-12-26)18-22-13-15(16(21)24-18)17(27)23-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,23,27)(H2,21,22,24)

InChI Key

AAPPJZBFCGWJHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20752162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.609

Distribution Coefficient, logD

2.608

Water Solubility, LogSw

-3.38

Polar Surface Area

87.388

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M503-0902 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with M503-0902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M503-0902?
Check Price and Availability of M503-0902, 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 M503-0902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M503-0902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M503-0902
  • 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 M503-0902 available by request