D459-0007 Screening compound: N-(4-tert-butylphenyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanamide

D459-0007 Screening compound: N-(4-tert-butylphenyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanamide
D459-0007 Screening compound: N-(4-tert-butylphenyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D459-0007
N-(4-tert-butylphenyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanamide

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

D459-0007

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

N-(4-tert-butylphenyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanamide

IUPAC name

N-(4-tert-butylphenyl)-3-(24-dioxo-1234-tetrahydropyrimidin-1-yl)propanamide

SMILES

CC(C)(C)c(cc1)ccc1NC(CCN(C=CC(N1)=O)C1=O)=O

InChI

InChI=1S/C17H21N3O3/c1-17(2,3)12-4-6-13(7-5-12)18-14(21)8-10-20-11-9-15(22)19-16(20)23/h4-7,9,11H,8,10H2,1-3H3,(H,18,21)(H,19,22,23)

InChI Key

IGIPMUACXMAGAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.320

Distribution Coefficient, logD

2.319

Water Solubility, LogSw

-2.84

Polar Surface Area

63.901

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with D459-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D459-0007?
Check Price and Availability of D459-0007, 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 D459-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D459-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D459-0007
  • 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 D459-0007 available by request