5280-0070 Screening compound: N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide

5280-0070 Screening compound: N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
5280-0070 Screening compound: N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5280-0070
N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-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

5280-0070

Molecular Formula

C21H22FN3O4S (C21 H22 FN3 O4 S)

Compound Name

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

IUPAC name

N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-4-(345-trimethoxyphenyl)-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CC(NC(NC1c(cc2OC)cc(OC)c2OC)=S)=C1C(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C21H22FN3O4S/c1-11-17(20(26)24-14-7-5-13(22)6-8-14)18(25-21(30)23-11)12-9-15(27-2)19(29-4)16(10-12)28-3/h5-10,18H,1-4H3,(H,24,26)(H2,23,25,30)/t18-/m1/s1

InChI Key

XGIIXEXBMOLKKT-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03681254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

2.833

Water Solubility, LogSw

-3.50

Polar Surface Area

68.743

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

5280-0070 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5280-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5280-0070?
Check Price and Availability of 5280-0070, 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 5280-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5280-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5280-0070
  • 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 5280-0070 available by request