8013-0118 Screening compound: N-[2-(4-bromophenyl)-5-oxo-5H-chromeno[4,3-d]pyrimidin-4-yl]propanamide

8013-0118 Screening compound: N-[2-(4-bromophenyl)-5-oxo-5H-chromeno[4,3-d]pyrimidin-4-yl]propanamide
8013-0118 Screening compound: N-[2-(4-bromophenyl)-5-oxo-5H-chromeno[4,3-d]pyrimidin-4-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0118
N-[2-(4-bromophenyl)-5-oxo-5H-chromeno[4,3-d]pyrimidin-4-yl]propanamide

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

8013-0118

Molecular Formula

C20H14BrN3O3 (C20 H14 BrN3 O3)

Compound Name

N-[2-(4-bromophenyl)-5-oxo-5H-chromeno[4,3-d]pyrimidin-4-yl]propanamide

IUPAC name

N-[2-(4-bromophenyl)-5-oxo-5H-chromeno[43-d]pyrimidin-4-yl]propanamide

SMILES

CCC(Nc(nc(-c(cc1)ccc1Br)nc1-c(cccc2)c2O2)c1C2=O)=O

InChI

InChI=1S/C20H14BrN3O3/c1-2-15(25)22-19-16-17(13-5-3-4-6-14(13)27-20(16)26)23-18(24-19)11-7-9-12(21)10-8-11/h3-10H,2H2,1H3,(H,22,23,24,25)

InChI Key

OGCRTLUYUAFXQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03198385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.753

Distribution Coefficient, logD

4.732

Water Solubility, LogSw

-4.68

Polar Surface Area

63.838

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8013-0118 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8013-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0118?
Check Price and Availability of 8013-0118, 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 8013-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0118
  • 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 8013-0118 available by request