1781-2081 Screening compound: ethyl 4-[2-(benzyloxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1781-2081 Screening compound: ethyl 4-[2-(benzyloxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1781-2081 Screening compound: ethyl 4-[2-(benzyloxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1781-2081
ethyl 4-[2-(benzyloxy)phenyl]-6-methyl-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

1781-2081

Molecular Formula

C21H22N2O3S (C21 H22 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c(cccc1)c1OCc1ccccc1)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C21H22N2O3S/c1-3-25-20(24)18-14(2)22-21(27)23-19(18)16-11-7-8-12-17(16)26-13-15-9-5-4-6-10-15/h4-12,19H,3,13H2,1-2H3,(H2,22,23,27)/t19-/m1/s1

InChI Key

GFGXZWJCWCLHKF-LJQANCHMSA-N

MDL Number (MFCD)

MFCD00718237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.142

Distribution Coefficient, logD

4.126

Water Solubility, LogSw

-4.43

Polar Surface Area

50.742

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-7.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

1781-2081 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1781-2081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1781-2081?
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What is the minimum amount of 1781-2081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1781-2081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1781-2081
  • 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 1781-2081 available by request