2513-4213 Screening compound: 6-methyl-N-(2-methylphenyl)-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxamide

2513-4213 Screening compound: 6-methyl-N-(2-methylphenyl)-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxamide
2513-4213 Screening compound: 6-methyl-N-(2-methylphenyl)-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-4213
6-methyl-N-(2-methylphenyl)-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-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

2513-4213

Molecular Formula

C20H18F3N3OS (C20 H18 F3 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1NC(C(C(c1ccc(C(F)(F)F)cc1)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C20H18F3N3OS/c1-11-5-3-4-6-15(11)25-18(27)16-12(2)24-19(28)26-17(16)13-7-9-14(10-8-13)20(21,22)23/h3-10,17H,1-2H3,(H,25,27)(H2,24,26,28)/t17-/m1/s1

InChI Key

SDLDBOCUAVDUPZ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD02084619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.842

Distribution Coefficient, logD

3.834

Water Solubility, LogSw

-4.06

Polar Surface Area

45.068

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 2513-4213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-4213?
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What is the minimum amount of 2513-4213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-4213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-4213
  • 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 2513-4213 available by request