8014-1202 Screening compound: 1-[(benzyloxy)methyl]-5-bromo-6-methyl-2,4(1H,3H)-pyrimidinedione

8014-1202 Screening compound: 1-[(benzyloxy)methyl]-5-bromo-6-methyl-2,4(1H,3H)-pyrimidinedione
8014-1202 Screening compound: 1-[(benzyloxy)methyl]-5-bromo-6-methyl-2,4(1H,3H)-pyrimidinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1202
1-[(benzyloxy)methyl]-5-bromo-6-methyl-2,4(1H,3H)-pyrimidinedione

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

8014-1202

Molecular Formula

C13H13BrN2O3 (C13 H13 BrN2 O3)

Compound Name

1-[(benzyloxy)methyl]-5-bromo-6-methyl-2,4(1H,3H)-pyrimidinedione

IUPAC name

1-[(benzyloxy)methyl]-5-bromo-6-methyl-1234-tetrahydropyrimidine-24-dione

SMILES

CC(N(COCc1ccccc1)C(NC1=O)=O)=C1Br

InChI

InChI=1S/C13H13BrN2O3/c1-9-11(14)12(17)15-13(18)16(9)8-19-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,17,18)

InChI Key

UEBGZZUOCBFJIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.16

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.115

Distribution Coefficient, logD

2.058

Water Solubility, LogSw

-2.72

Polar Surface Area

49.629

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

-6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

8014-1202 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8014-1202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1202?
Check Price and Availability of 8014-1202, 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 8014-1202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1202
  • 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 8014-1202 available by request