3028-4967 Screening compound: 2-phenylethyl 1,6-dimethyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

3028-4967 Screening compound: 2-phenylethyl 1,6-dimethyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3028-4967 Screening compound: 2-phenylethyl 1,6-dimethyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3028-4967
2-phenylethyl 1,6-dimethyl-2-oxo-4-(thiophen-2-yl)-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

3028-4967

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

2-phenylethyl 1,6-dimethyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-phenylethyl 16-dimethyl-2-oxo-4-(thiophen-2-yl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(N(C)C(NC1c2cccs2)=O)=C1C(OCCc1ccccc1)=O

InChI

InChI=1S/C19H20N2O3S/c1-13-16(18(22)24-11-10-14-7-4-3-5-8-14)17(15-9-6-12-25-15)20-19(23)21(13)2/h3-9,12,17H,10-11H2,1-2H3,(H,20,23)/t17-/m0/s1

InChI Key

KOVPEHCSQJANSI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01825121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.226

Distribution Coefficient, logD

3.225

Water Solubility, LogSw

-3.48

Polar Surface Area

49.470

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

-4.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 3028-4967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3028-4967?
Check Price and Availability of 3028-4967, 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 3028-4967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3028-4967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3028-4967
  • 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 3028-4967 available by request