8014-5606 Screening compound: 2-(4-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

8014-5606 Screening compound: 2-(4-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
8014-5606 Screening compound: 2-(4-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-5606
2-(4-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

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

8014-5606

Molecular Formula

C17H12ClN3OS (C17 H12 ClN3 OS)

Compound Name

2-(4-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

IUPAC name

2-(4-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1234-tetrahydropyrimidine-5-carbonitrile

SMILES

N#CC(C(NC(c(cc1)ccc1Cl)N1c2ccccc2)=O)=C1S

InChI

InChI=1S/C17H12ClN3OS/c18-12-8-6-11(7-9-12)15-20-16(22)14(10-19)17(23)21(15)13-4-2-1-3-5-13/h1-9,15,23H,(H,20,22)/t15-/m0/s1

InChI Key

RTJMPPUHWNLRIP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03301129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.422

Distribution Coefficient, logD

-0.419

Water Solubility, LogSw

-4.12

Polar Surface Area

44.375

Acid Dissociation Constant (pKa)

3.56

Base Dissociation Constant (pKb)

-5.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.90

8014-5606 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8014-5606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5606?
Check Price and Availability of 8014-5606, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8014-5606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5606
  • 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 8014-5606 available by request