3591-0008 Screening compound: N-(2-ethoxyphenyl)-6-methyl-4-(naphthalen-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

3591-0008 Screening compound: N-(2-ethoxyphenyl)-6-methyl-4-(naphthalen-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
3591-0008 Screening compound: N-(2-ethoxyphenyl)-6-methyl-4-(naphthalen-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3591-0008
N-(2-ethoxyphenyl)-6-methyl-4-(naphthalen-1-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

3591-0008

Molecular Formula

C24H23N3O2S (C24 H23 N3 O2 S)

Compound Name

N-(2-ethoxyphenyl)-6-methyl-4-(naphthalen-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

N-(2-ethoxyphenyl)-6-methyl-4-(naphthalen-1-yl)-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CCOc(cccc1)c1NC(C(C(c1cccc2ccccc12)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C24H23N3O2S/c1-3-29-20-14-7-6-13-19(20)26-23(28)21-15(2)25-24(30)27-22(21)18-12-8-10-16-9-4-5-11-17(16)18/h4-14,22H,3H2,1-2H3,(H,26,28)(H2,25,27,30)/t22-/m1/s1

InChI Key

BOETXHNJCJUPCP-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD01958892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.580

Distribution Coefficient, logD

4.454

Water Solubility, LogSw

-4.75

Polar Surface Area

52.006

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 3591-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3591-0008?
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What is the minimum amount of 3591-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3591-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3591-0008
  • 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 3591-0008 available by request