3338-2839 Screening compound: 4-[4-(benzyloxy)phenyl]-6-methyl-N-(pyridin-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

3338-2839 Screening compound: 4-[4-(benzyloxy)phenyl]-6-methyl-N-(pyridin-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
3338-2839 Screening compound: 4-[4-(benzyloxy)phenyl]-6-methyl-N-(pyridin-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-2839
4-[4-(benzyloxy)phenyl]-6-methyl-N-(pyridin-2-yl)-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

3338-2839

Molecular Formula

C24H22N4O2S (C24 H22 N4 O2 S)

Compound Name

4-[4-(benzyloxy)phenyl]-6-methyl-N-(pyridin-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

4-[4-(benzyloxy)phenyl]-6-methyl-N-(pyridin-2-yl)-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CC(NC(NC1c(cc2)ccc2OCc2ccccc2)=S)=C1C(Nc1ncccc1)=O

InChI

InChI=1S/C24H22N4O2S/c1-16-21(23(29)27-20-9-5-6-14-25-20)22(28-24(31)26-16)18-10-12-19(13-11-18)30-15-17-7-3-2-4-8-17/h2-14,22H,15H2,1H3,(H,25,27,29)(H2,26,28,31)/t22-/m1/s1

InChI Key

RXKBBWPRFAHVND-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD02130183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.890

Distribution Coefficient, logD

3.888

Water Solubility, LogSw

-4.08

Polar Surface Area

62.608

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

3338-2839 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3338-2839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-2839?
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What is the minimum amount of 3338-2839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-2839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-2839
  • 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 3338-2839 available by request