4339-0305 Screening compound: 4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

4339-0305 Screening compound: 4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
4339-0305 Screening compound: 4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4339-0305
4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-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

4339-0305

Molecular Formula

C21H24N4OS (C21 H24 N4 OS)

Compound Name

4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

Cc(cc1)ccc1NC(C(C(c(cc1)ccc1N(C)C)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C21H24N4OS/c1-13-5-9-16(10-6-13)23-20(26)18-14(2)22-21(27)24-19(18)15-7-11-17(12-8-15)25(3)4/h5-12,19H,1-4H3,(H,23,26)(H2,22,24,27)/t19-/m1/s1

InChI Key

UZJJDWZIYQXMLH-LJQANCHMSA-N

MDL Number (MFCD)

MFCD00818660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.490

Distribution Coefficient, logD

3.475

Water Solubility, LogSw

-3.81

Polar Surface Area

48.570

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 4339-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4339-0305?
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What is the minimum amount of 4339-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4339-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4339-0305
  • 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 4339-0305 available by request