4896-4197 Screening compound: methyl 6-methyl-4-[4-(methylsulfanyl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4896-4197 Screening compound: methyl 6-methyl-4-[4-(methylsulfanyl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4896-4197 Screening compound: methyl 6-methyl-4-[4-(methylsulfanyl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-4197
methyl 6-methyl-4-[4-(methylsulfanyl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

4896-4197

Molecular Formula

C14H16N2O2S2 (C14 H16 N2 O2 S2)

Compound Name

methyl 6-methyl-4-[4-(methylsulfanyl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 6-methyl-4-[4-(methylsulfanyl)phenyl]-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c(cc2)ccc2SC)=S)=C1C(OC)=O

InChI

InChI=1S/C14H16N2O2S2/c1-8-11(13(17)18-2)12(16-14(19)15-8)9-4-6-10(20-3)7-5-9/h4-7,12H,1-3H3,(H2,15,16,19)/t12-/m1/s1

InChI Key

UHGMKNGOCVXMRZ-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD02168345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.585

Distribution Coefficient, logD

2.569

Water Solubility, LogSw

-3.03

Polar Surface Area

43.848

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-6.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 4896-4197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-4197?
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What is the minimum amount of 4896-4197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-4197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-4197
  • 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 4896-4197 available by request