4681-3805 Screening compound: 4-(4-methoxynaphthalen-1-yl)-N,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

4681-3805 Screening compound: 4-(4-methoxynaphthalen-1-yl)-N,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
4681-3805 Screening compound: 4-(4-methoxynaphthalen-1-yl)-N,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4681-3805
4-(4-methoxynaphthalen-1-yl)-N,6-dimethyl-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

4681-3805

Molecular Formula

C18H19N3O2S (C18 H19 N3 O2 S)

Compound Name

4-(4-methoxynaphthalen-1-yl)-N,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

4-(4-methoxynaphthalen-1-yl)-N6-dimethyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CC(NC(NC1c(c2ccccc22)ccc2OC)=S)=C1C(NC)=O

InChI

InChI=1S/C18H19N3O2S/c1-10-15(17(22)19-2)16(21-18(24)20-10)13-8-9-14(23-3)12-7-5-4-6-11(12)13/h4-9,16H,1-3H3,(H,19,22)(H2,20,21,24)/t16-/m1/s1

InChI Key

NPBWEWISQPRQPL-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD03145725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.428

Distribution Coefficient, logD

2.415

Water Solubility, LogSw

-2.91

Polar Surface Area

54.868

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 4681-3805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4681-3805?
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What is the minimum amount of 4681-3805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4681-3805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4681-3805
  • 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 4681-3805 available by request