D083-0023 Screening compound: 2-[(3-chlorophenyl)amino]-6-propyl-3,4-dihydropyrimidin-4-one

D083-0023 Screening compound: 2-[(3-chlorophenyl)amino]-6-propyl-3,4-dihydropyrimidin-4-one
D083-0023 Screening compound: 2-[(3-chlorophenyl)amino]-6-propyl-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D083-0023
2-[(3-chlorophenyl)amino]-6-propyl-3,4-dihydropyrimidin-4-one

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

D083-0023

Molecular Formula

C13H14ClN3O (C13 H14 ClN3 O)

Compound Name

2-[(3-chlorophenyl)amino]-6-propyl-3,4-dihydropyrimidin-4-one

IUPAC name

2-[(3-chlorophenyl)amino]-6-propyl-34-dihydropyrimidin-4-one

SMILES

CCCC(N=C(Nc1cccc(Cl)c1)N1)=CC1=O

InChI

InChI=1S/C13H14ClN3O/c1-2-4-10-8-12(18)17-13(15-10)16-11-6-3-5-9(14)7-11/h3,5-8H,2,4H2,1H3,(H2,15,16,17,18)

InChI Key

WZKFCUQBDYVYHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02980738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.73

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.469

Distribution Coefficient, logD

3.237

Water Solubility, LogSw

-3.70

Polar Surface Area

44.963

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D083-0023 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D083-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D083-0023?
Check Price and Availability of D083-0023, 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 D083-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D083-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D083-0023
  • 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 D083-0023 available by request