8016-1407 Screening compound: ethyl 4-(4-chlorophenyl)-6-{[(4-chlorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

8016-1407 Screening compound: ethyl 4-(4-chlorophenyl)-6-{[(4-chlorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
8016-1407 Screening compound: ethyl 4-(4-chlorophenyl)-6-{[(4-chlorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1407
ethyl 4-(4-chlorophenyl)-6-{[(4-chlorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

8016-1407

Molecular Formula

C20H18Cl2N2O3S (C20 H18 Cl2 N2 O3 S)

Compound Name

ethyl 4-(4-chlorophenyl)-6-{[(4-chlorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

ethyl 4-(4-chlorophenyl)-6-{[(4-chlorophenyl)sulfanyl]methyl}-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1Cl)N1)=C(CSc(cc2)ccc2Cl)NC1=O)=O

InChI

InChI=1S/C20H18Cl2N2O3S/c1-2-27-19(25)17-16(11-28-15-9-7-14(22)8-10-15)23-20(26)24-18(17)12-3-5-13(21)6-4-12/h3-10,18H,2,11H2,1H3,(H2,23,24,26)/t18-/m1/s1

InChI Key

ARNSPWNBWMCTQW-GOSISDBHSA-N

MDL Number (MFCD)

MFCD05260499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.35

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

4.871

Distribution Coefficient, logD

4.608

Water Solubility, LogSw

-5.09

Polar Surface Area

56.781

Acid Dissociation Constant (pKa)

7.48

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8016-1407 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-1407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1407?
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What is the minimum amount of 8016-1407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1407
  • 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 8016-1407 available by request