2836-0062 Screening compound: N-(2-methoxyphenyl)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

2836-0062 Screening compound: N-(2-methoxyphenyl)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
2836-0062 Screening compound: N-(2-methoxyphenyl)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2836-0062
N-(2-methoxyphenyl)-4-(4-methoxyphenyl)-6-methyl-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

2836-0062

Molecular Formula

C20H21N3O3S (C20 H21 N3 O3 S)

Compound Name

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

IUPAC name

N-(2-methoxyphenyl)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CC(NC(NC1c(cc2)ccc2OC)=S)=C1C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C20H21N3O3S/c1-12-17(19(24)22-15-6-4-5-7-16(15)26-3)18(23-20(27)21-12)13-8-10-14(25-2)11-9-13/h4-11,18H,1-3H3,(H,22,24)(H2,21,23,27)/t18-/m1/s1

InChI Key

XFIMDDBFJDACEM-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01850000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.910

Distribution Coefficient, logD

2.906

Water Solubility, LogSw

-3.58

Polar Surface Area

60.242

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 2836-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2836-0062?
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What is the minimum amount of 2836-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2836-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2836-0062
  • 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 2836-0062 available by request