4896-4750 Screening compound: ethyl 6-methyl-4-(5-methylthiophen-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4896-4750 Screening compound: ethyl 6-methyl-4-(5-methylthiophen-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4896-4750 Screening compound: ethyl 6-methyl-4-(5-methylthiophen-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-4750
ethyl 6-methyl-4-(5-methylthiophen-2-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

4896-4750

Molecular Formula

C13H16N2O2S2 (C13 H16 N2 O2 S2)

Compound Name

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

IUPAC name

n/a

SMILES

CCOC(C(C(c1ccc(C)s1)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C13H16N2O2S2/c1-4-17-12(16)10-8(3)14-13(18)15-11(10)9-6-5-7(2)19-9/h5-6,11H,4H2,1-3H3,(H2,14,15,18)/t11-/m1/s1

InChI Key

ORXPMMNQAHQRIN-LLVKDONJSA-N

MDL Number (MFCD)

MFCD02952083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.41

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

2.737

Distribution Coefficient, logD

2.715

Water Solubility, LogSw

-3.01

Polar Surface Area

44.446

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-7.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

4896-4750 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4896-4750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-4750?
Check Price and Availability of 4896-4750, 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 4896-4750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-4750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-4750
  • 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 4896-4750 available by request