4476-0123 Screening compound: 2-methoxyethyl 4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4476-0123 Screening compound: 2-methoxyethyl 4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4476-0123 Screening compound: 2-methoxyethyl 4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-0123
2-methoxyethyl 4-(4-chlorophenyl)-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

4476-0123

Molecular Formula

C15H17ClN2O3S (C15 H17 ClN2 O3 S)

Compound Name

2-methoxyethyl 4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-methoxyethyl 4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c(cc2)ccc2Cl)=S)=C1C(OCCOC)=O

InChI

InChI=1S/C15H17ClN2O3S/c1-9-12(14(19)21-8-7-20-2)13(18-15(22)17-9)10-3-5-11(16)6-4-10/h3-6,13H,7-8H2,1-2H3,(H2,17,18,22)/t13-/m0/s1

InChI Key

VVQOGUPSGYGTQT-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01606077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.977

Distribution Coefficient, logD

1.961

Water Solubility, LogSw

-3.00

Polar Surface Area

52.064

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 4476-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-0123?
Check Price and Availability of 4476-0123, 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 4476-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-0123
  • 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 4476-0123 available by request