D416-0189F Screening compound: 2-[(3-chlorophenyl)amino]-6-ethyl-4(1H)-pyrimidinone

D416-0189F Screening compound: 2-[(3-chlorophenyl)amino]-6-ethyl-4(1H)-pyrimidinone
D416-0189F Screening compound: 2-[(3-chlorophenyl)amino]-6-ethyl-4(1H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound D416-0189F
2-[(3-chlorophenyl)amino]-6-ethyl-4(1H)-pyrimidinone

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

D416-0189F

Molecular Formula

C12H12ClN3O (C12 H12 ClN3 O)

Compound Name

2-[(3-chlorophenyl)amino]-6-ethyl-4(1H)-pyrimidinone

IUPAC name

n/a

SMILES

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

InChI

InChI=1S/C12H12ClN3O/c1-2-9-7-11(17)16-12(14-9)15-10-5-3-4-8(13)6-10/h3-7H,2H2,1H3,(H2,14,15,16,17)

InChI Key

JQXQJXNBBGAKQS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.7

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.942

Distribution Coefficient, logD

2.710

Water Solubility, LogSw

-3.51

Polar Surface Area

44.963

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

D416-0189F in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D416-0189F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D416-0189F?
Check Price and Availability of D416-0189F, 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 D416-0189F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D416-0189F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D416-0189F
  • 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 D416-0189F available by request