Y070-3758 Screening compound: N~3~-butyl-2-imino-5-oxo-1-phenethyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Y070-3758 Screening compound: N~3~-butyl-2-imino-5-oxo-1-phenethyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
Y070-3758 Screening compound: N~3~-butyl-2-imino-5-oxo-1-phenethyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3758
N~3~-butyl-2-imino-5-oxo-1-phenethyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-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

Y070-3758

Molecular Formula

C24H25N5O2 (C24 H25 N5 O2)

Compound Name

N~3~-butyl-2-imino-5-oxo-1-phenethyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

IUPAC name

N-butyl-6-imino-2-oxo-7-(2-phenylethyl)-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxamide

SMILES

CCCCNC(C(C(N1CCc2ccccc2)=N)=CC2=C1N=C(C=CC=C1)N1C2=O)=O

InChI

InChI=1S/C24H25N5O2/c1-2-3-13-26-23(30)18-16-19-22(27-20-11-7-8-14-28(20)24(19)31)29(21(18)25)15-12-17-9-5-4-6-10-17/h4-11,14,16,25H,2-3,12-13,15H2,1H3,(H,26,30)

InChI Key

KHYOYRMLLOCTDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04193451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.667

Distribution Coefficient, logD

2.635

Water Solubility, LogSw

-2.92

Polar Surface Area

68.774

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with Y070-3758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3758?
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What is the minimum amount of Y070-3758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3758
  • 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 Y070-3758 available by request