5201-0123 Screening compound: 4-(4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

5201-0123 Screening compound: 4-(4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
5201-0123 Screening compound: 4-(4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5201-0123
4-(4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-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

5201-0123

Molecular Formula

C20H20FN3O2S (C20 H20 FN3 O2 S)

Compound Name

4-(4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

4-(4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CCOc1ccc(C(C(C(Nc(cc2)ccc2F)=O)=C(C)N2)NC2=S)cc1

InChI

InChI=1S/C20H20FN3O2S/c1-3-26-16-10-4-13(5-11-16)18-17(12(2)22-20(27)24-18)19(25)23-15-8-6-14(21)7-9-15/h4-11,18H,3H2,1-2H3,(H,23,25)(H2,22,24,27)/t18-/m1/s1

InChI Key

SIIVJAZQQFNSTK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD04325007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.375

Distribution Coefficient, logD

3.373

Water Solubility, LogSw

-3.58

Polar Surface Area

52.889

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

5201-0123 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 5201-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5201-0123?
Check Price and Availability of 5201-0123, 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 5201-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5201-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5201-0123
  • 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 5201-0123 available by request