Y041-8922 Screening compound: N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,5-dioxo-4-(propan-2-yl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazoline-3a-carboxamide

Y041-8922 Screening compound: N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,5-dioxo-4-(propan-2-yl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazoline-3a-carboxamide
Y041-8922 Screening compound: N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,5-dioxo-4-(propan-2-yl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazoline-3a-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8922
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,5-dioxo-4-(propan-2-yl)-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

Y041-8922

Molecular Formula

C20H22N4O3S (C20 H22 N4 O3 S)

Compound Name

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,5-dioxo-4-(propan-2-yl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazoline-3a-carboxamide

IUPAC name

N-(45-dimethyl-13-thiazol-2-yl)-15-dioxo-4-(propan-2-yl)-1H2H3H3aH4H5H-pyrrolo[12-a]quinazoline-3a-carboxamide

SMILES

CC(C)N(C(CCC1=O)(C(Nc2nc(C)c(C)s2)=O)N1c1c2cccc1)C2=O

InChI

InChI=1S/C20H22N4O3S/c1-11(2)23-17(26)14-7-5-6-8-15(14)24-16(25)9-10-20(23,24)18(27)22-19-21-12(3)13(4)28-19/h5-8,11H,9-10H2,1-4H3,(H,21,22,27)/t20-/m1/s1

InChI Key

MIRZUZOYSXGJLN-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD16627094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.649

Distribution Coefficient, logD

2.238

Water Solubility, LogSw

-3.49

Polar Surface Area

65.818

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with Y041-8922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8922?
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What is the minimum amount of Y041-8922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8922
  • 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 Y041-8922 available by request