3952-0072 Screening compound: 3-bromo-N-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)benzamide

3952-0072 Screening compound: 3-bromo-N-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)benzamide
3952-0072 Screening compound: 3-bromo-N-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3952-0072
3-bromo-N-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)benzamide

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

3952-0072

Molecular Formula

C11H8BrN3O3 (C11 H8 BrN3 O3)

Compound Name

3-bromo-N-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)benzamide

IUPAC name

3-bromo-N-(24-dioxo-1234-tetrahydropyrimidin-5-yl)benzamide

SMILES

O=C(c1cccc(Br)c1)NC(C(N1)=O)=CNC1=O

InChI

InChI=1S/C11H8BrN3O3/c12-7-3-1-2-6(4-7)9(16)14-8-5-13-11(18)15-10(8)17/h1-5H,(H,14,16)(H2,13,15,17,18)

InChI Key

JWPVIAINLKWUMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.11

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.742

Distribution Coefficient, logD

-2.586

Water Solubility, LogSw

-1.92

Polar Surface Area

73.065

Acid Dissociation Constant (pKa)

4.07

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3952-0072 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3952-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3952-0072?
Check Price and Availability of 3952-0072, 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 3952-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3952-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3952-0072
  • 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 3952-0072 available by request