C430-5424 Screening compound: ethyl 6-[(azepan-1-yl)methyl]-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C430-5424 Screening compound: ethyl 6-[(azepan-1-yl)methyl]-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C430-5424 Screening compound: ethyl 6-[(azepan-1-yl)methyl]-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5424
ethyl 6-[(azepan-1-yl)methyl]-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-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

C430-5424

Molecular Formula

C23H33N3O4 (C23 H33 N3 O4)

Compound Name

ethyl 6-[(azepan-1-yl)methyl]-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-[(azepan-1-yl)methyl]-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1OC(C)C)N1)=C(CN2CCCCCC2)NC1=O)=O

InChI

InChI=1S/C23H33N3O4/c1-4-29-22(27)20-19(15-26-13-7-5-6-8-14-26)24-23(28)25-21(20)17-9-11-18(12-10-17)30-16(2)3/h9-12,16,21H,4-8,13-15H2,1-3H3,(H2,24,25,28)/t21-/m1/s1

InChI Key

CTEHOTDYYWVWMF-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14757065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.302

Distribution Coefficient, logD

3.302

Water Solubility, LogSw

-3.50

Polar Surface Area

67.918

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

11.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.50

C430-5424 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C430-5424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5424?
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What is the minimum amount of C430-5424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5424
  • 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 C430-5424 available by request