M814-0135 Screening compound: N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methoxypyrimidine-5-carboxamide

M814-0135 Screening compound: N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methoxypyrimidine-5-carboxamide
M814-0135 Screening compound: N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methoxypyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M814-0135
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methoxypyrimidine-5-carboxamide

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

M814-0135

Molecular Formula

C16H19N3O4 (C16 H19 N3 O4)

Compound Name

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methoxypyrimidine-5-carboxamide

IUPAC name

N-[1-(34-dimethoxyphenyl)ethyl]-2-methoxypyrimidine-5-carboxamide

SMILES

CC(c(cc1)cc(OC)c1OC)NC(c(cn1)cnc1OC)=O

InChI

InChI=1S/C16H19N3O4/c1-10(11-5-6-13(21-2)14(7-11)22-3)19-15(20)12-8-17-16(23-4)18-9-12/h5-10H,1-4H3,(H,19,20)/t10-/m0/s1

InChI Key

TWRDMFJJQNMHMF-JTQLQIEISA-N

MDL Number (MFCD)

MFCD27554919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.441

Distribution Coefficient, logD

1.441

Water Solubility, LogSw

-1.98

Polar Surface Area

66.035

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

M814-0135 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with M814-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M814-0135?
Check Price and Availability of M814-0135, 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 M814-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M814-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M814-0135
  • 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 M814-0135 available by request