1799-0231 Screening compound: ethyl 4-(3,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1799-0231 Screening compound: ethyl 4-(3,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1799-0231 Screening compound: ethyl 4-(3,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1799-0231
ethyl 4-(3,4-dichlorophenyl)-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

1799-0231

Molecular Formula

C14H14Cl2N2O2S (C14 H14 Cl2 N2 O2 S)

Compound Name

ethyl 4-(3,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(34-dichlorophenyl)-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)cc(Cl)c1Cl)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C14H14Cl2N2O2S/c1-3-20-13(19)11-7(2)17-14(21)18-12(11)8-4-5-9(15)10(16)6-8/h4-6,12H,3H2,1-2H3,(H2,17,18,21)/t12-/m0/s1

InChI Key

OXMVMGGZCWEAGT-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01191915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.872

Distribution Coefficient, logD

3.856

Water Solubility, LogSw

-4.20

Polar Surface Area

43.428

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

1799-0231 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 1799-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1799-0231?
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What is the minimum amount of 1799-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1799-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1799-0231
  • 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 1799-0231 available by request