C430-1178 Screening compound: ethyl 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidine-5-carboxylate

C430-1178 Screening compound: ethyl 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidine-5-carboxylate
C430-1178 Screening compound: ethyl 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-1178
ethyl 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidine-5-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

C430-1178

Molecular Formula

C16H17N3O4 (C16 H17 N3 O4)

Compound Name

ethyl 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidine-5-carboxylate

IUPAC name

ethyl 2-{[(2H-13-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidine-5-carboxylate

SMILES

CCOC(c1c(C)nc(NCc(cc2)cc3c2OCO3)nc1)=O

InChI

InChI=1S/C16H17N3O4/c1-3-21-15(20)12-8-18-16(19-10(12)2)17-7-11-4-5-13-14(6-11)23-9-22-13/h4-6,8H,3,7,9H2,1-2H3,(H,17,18,19)

InChI Key

FBCZNTDXCPVMSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.555

Distribution Coefficient, logD

2.555

Water Solubility, LogSw

-2.92

Polar Surface Area

69.146

Acid Dissociation Constant (pKa)

17.01

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C430-1178 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C430-1178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-1178?
Check Price and Availability of C430-1178, 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 C430-1178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-1178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-1178
  • 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 C430-1178 available by request