C430-0745 Screening compound: ETHYL 6-[(BENZYLAMINO)METHYL]-4-(4-METHYLPHENYL)-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE

C430-0745 Screening compound: ETHYL 6-[(BENZYLAMINO)METHYL]-4-(4-METHYLPHENYL)-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE
C430-0745 Screening compound: ETHYL 6-[(BENZYLAMINO)METHYL]-4-(4-METHYLPHENYL)-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0745
ETHYL 6-[(BENZYLAMINO)METHYL]-4-(4-METHYLPHENYL)-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE

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

C430-0745

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

ETHYL 6-[(BENZYLAMINO)METHYL]-4-(4-METHYLPHENYL)-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE

IUPAC name

n/a

SMILES

CCOC(C(C(c1ccc(C)cc1)N1)=C(CNCc2ccccc2)NC1=O)=O

InChI

InChI=1S/C22H25N3O3/c1-3-28-21(26)19-18(14-23-13-16-7-5-4-6-8-16)24-22(27)25-20(19)17-11-9-15(2)10-12-17/h4-12,20,23H,3,13-14H2,1-2H3,(H2,24,25,27)/t20-/m1/s1

InChI Key

XVAJWGQGJMDBTM-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14756634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.864

Distribution Coefficient, logD

2.864

Water Solubility, LogSw

-3.12

Polar Surface Area

68.818

Acid Dissociation Constant (pKa)

5.79

Base Dissociation Constant (pKb)

11.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

C430-0745 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C430-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0745?
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What is the minimum amount of C430-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0745
  • 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 C430-0745 available by request