6712-0469 Screening compound: N-(3-chloro-2-methylphenyl)-2-{[5-ethyl-1-(4-fluorophenyl)-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

6712-0469 Screening compound: N-(3-chloro-2-methylphenyl)-2-{[5-ethyl-1-(4-fluorophenyl)-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
6712-0469 Screening compound: N-(3-chloro-2-methylphenyl)-2-{[5-ethyl-1-(4-fluorophenyl)-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6712-0469
N-(3-chloro-2-methylphenyl)-2-{[5-ethyl-1-(4-fluorophenyl)-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

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

6712-0469

Molecular Formula

C21H19ClFN3O3S (C21 H19 ClFN3 O3 S)

Compound Name

N-(3-chloro-2-methylphenyl)-2-{[5-ethyl-1-(4-fluorophenyl)-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(3-chloro-2-methylphenyl)-2-{[5-ethyl-1-(4-fluorophenyl)-4-hydroxy-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}acetamide

SMILES

CCC(C(N(c(cc1)ccc1F)C(SCC(Nc1cccc(Cl)c1C)=O)=N1)=O)=C1O

InChI

InChI=1S/C21H19ClFN3O3S/c1-3-15-19(28)25-21(26(20(15)29)14-9-7-13(23)8-10-14)30-11-18(27)24-17-6-4-5-16(22)12(17)2/h4-10,28H,3,11H2,1-2H3,(H,24,27)

InChI Key

IQFOEJSATIBAMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02921504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.812

Distribution Coefficient, logD

0.417

Water Solubility, LogSw

-3.86

Polar Surface Area

63.782

Acid Dissociation Constant (pKa)

4.00

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 6712-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6712-0469?
Check Price and Availability of 6712-0469, 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 6712-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6712-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6712-0469
  • 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 6712-0469 available by request