D506-0199 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide

D506-0199 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide
D506-0199 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D506-0199
2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-(phenylsulfanyl)pyrimidine-4-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

D506-0199

Molecular Formula

C25H20FN3O2S2 (C25 H20 FN3 O2 S2)

Compound Name

2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide

IUPAC name

2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide

SMILES

COc(cccc1)c1NC(c(nc(nc1)SCc(cc2)ccc2F)c1Sc1ccccc1)=O

InChI

InChI=1S/C25H20FN3O2S2/c1-31-21-10-6-5-9-20(21)28-24(30)23-22(33-19-7-3-2-4-8-19)15-27-25(29-23)32-16-17-11-13-18(26)14-12-17/h2-15H,16H2,1H3,(H,28,30)

InChI Key

RTHXTOCPSINEAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.847

Distribution Coefficient, logD

5.846

Water Solubility, LogSw

-5.41

Polar Surface Area

48.304

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with D506-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D506-0199?
Check Price and Availability of D506-0199, 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 D506-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D506-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D506-0199
  • 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 D506-0199 available by request