2852-4652 Screening compound: 2,2,2-trichloroethyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2852-4652 Screening compound: 2,2,2-trichloroethyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2852-4652 Screening compound: 2,2,2-trichloroethyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2852-4652
2,2,2-trichloroethyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-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

2852-4652

Molecular Formula

C15H13Cl3N2O5 (C15 H13 Cl3 N2 O5)

Compound Name

2,2,2-trichloroethyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

222-trichloroethyl 4-(2H-13-benzodioxol-5-yl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c(cc2)cc3c2OCO3)=O)=C1C(OCC(Cl)(Cl)Cl)=O

InChI

InChI=1S/C15H13Cl3N2O5/c1-7-11(13(21)23-5-15(16,17)18)12(20-14(22)19-7)8-2-3-9-10(4-8)25-6-24-9/h2-4,12H,5-6H2,1H3,(H2,19,20,22)/t12-/m0/s1

InChI Key

XRLZKDZVYAVWNB-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01193248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

2.579

Water Solubility, LogSw

-3.50

Polar Surface Area

73.936

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 2852-4652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2852-4652?
Check Price and Availability of 2852-4652, 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 2852-4652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2852-4652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2852-4652
  • 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 2852-4652 available by request