Y041-8882 Screening compound: 1,5-dioxo-N-[4-(trifluoromethoxy)phenyl]-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazoline-3a-carboxamide

Y041-8882 Screening compound: 1,5-dioxo-N-[4-(trifluoromethoxy)phenyl]-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazoline-3a-carboxamide
Y041-8882 Screening compound: 1,5-dioxo-N-[4-(trifluoromethoxy)phenyl]-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazoline-3a-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8882
1,5-dioxo-N-[4-(trifluoromethoxy)phenyl]-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

Y041-8882

Molecular Formula

C19H14F3N3O4 (C19 H14 F3 N3 O4)

Compound Name

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

IUPAC name

15-dioxo-N-[4-(trifluoromethoxy)phenyl]-1H2H3H3aH4H5H-pyrrolo[12-a]quinazoline-3a-carboxamide

SMILES

O=C(C(CCC1=O)(N2)N1c(cccc1)c1C2=O)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C19H14F3N3O4/c20-19(21,22)29-12-7-5-11(6-8-12)23-17(28)18-10-9-15(26)25(18)14-4-2-1-3-13(14)16(27)24-18/h1-8H,9-10H2,(H,23,28)(H,24,27)/t18-/m0/s1

InChI Key

VMXRTHARISZQLW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD16623577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.33

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

2.810

Distribution Coefficient, logD

2.809

Water Solubility, LogSw

-3.87

Polar Surface Area

70.657

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.05

Y041-8882 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 Y041-8882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8882?
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What is the minimum amount of Y041-8882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8882
  • 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 Y041-8882 available by request