8006-1252 Screening compound: ethyl 6-methyl-4-(pyridin-3-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8006-1252 Screening compound: ethyl 6-methyl-4-(pyridin-3-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8006-1252 Screening compound: ethyl 6-methyl-4-(pyridin-3-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1252
ethyl 6-methyl-4-(pyridin-3-yl)-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

8006-1252

Molecular Formula

C13H15N3O2S (C13 H15 N3 O2 S)

Compound Name

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

IUPAC name

ethyl 6-methyl-4-(pyridin-3-yl)-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1cnccc1)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C13H15N3O2S/c1-3-18-12(17)10-8(2)15-13(19)16-11(10)9-5-4-6-14-7-9/h4-7,11H,3H2,1-2H3,(H2,15,16,19)/t11-/m1/s1

InChI Key

JPYRFQAGJBOJFZ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD00430519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.230

Distribution Coefficient, logD

1.218

Water Solubility, LogSw

-1.66

Polar Surface Area

52.946

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

8006-1252 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8006-1252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1252?
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What is the minimum amount of 8006-1252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1252
  • 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 8006-1252 available by request