Y041-8886 Screening compound: N-(3-bromophenyl)-1,5-dioxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazoline-3a-carboxamide

Y041-8886 Screening compound: N-(3-bromophenyl)-1,5-dioxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazoline-3a-carboxamide
Y041-8886 Screening compound: N-(3-bromophenyl)-1,5-dioxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazoline-3a-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8886
N-(3-bromophenyl)-1,5-dioxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazoline-3a-carboxamide

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

Y041-8886

Molecular Formula

C18H14BrN3O3 (C18 H14 BrN3 O3)

Compound Name

N-(3-bromophenyl)-1,5-dioxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazoline-3a-carboxamide

IUPAC name

N-(3-bromophenyl)-15-dioxo-1H2H3H3aH4H5H-pyrrolo[12-a]quinazoline-3a-carboxamide

SMILES

O=C(C(CCC1=O)(N2)N1c(cccc1)c1C2=O)Nc1cccc(Br)c1

InChI

InChI=1S/C18H14BrN3O3/c19-11-4-3-5-12(10-11)20-17(25)18-9-8-15(23)22(18)14-7-2-1-6-13(14)16(24)21-18/h1-7,10H,8-9H2,(H,20,25)(H,21,24)/t18-/m0/s1

InChI Key

XGQNNHWXYIOBAY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD16627833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.427

Distribution Coefficient, logD

2.426

Water Solubility, LogSw

-3.17

Polar Surface Area

64.721

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

Y041-8886 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-8886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8886?
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What is the minimum amount of Y041-8886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8886
  • 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 Y041-8886 available by request