Y021-2776 Screening compound: 2-[6-{[4-(4-fluorophenyl)piperazino]methyl}-8-methoxy-4,4-dimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-1-hydrazinecarboximidamide

Y021-2776 Screening compound: 2-[6-{[4-(4-fluorophenyl)piperazino]methyl}-8-methoxy-4,4-dimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-1-hydrazinecarboximidamide
Y021-2776 Screening compound: 2-[6-{[4-(4-fluorophenyl)piperazino]methyl}-8-methoxy-4,4-dimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-1-hydrazinecarboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2776
2-[6-{[4-(4-fluorophenyl)piperazino]methyl}-8-methoxy-4,4-dimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-1-hydrazinecarboximidamide

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

Y021-2776

Molecular Formula

C26H30FN7O2 (C26 H30 FN7 O2)

Compound Name

2-[6-{[4-(4-fluorophenyl)piperazino]methyl}-8-methoxy-4,4-dimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-1-hydrazinecarboximidamide

IUPAC name

N-{[(3E)-9-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-6-methoxy-1111-dimethyl-2-oxo-1-azatricyclo[6.3.1.0^{412}]dodeca-4(12)579-tetraen-3-ylidene]amino}guanidine

SMILES

CC(C)(C=C(CN(CC1)CCN1c(cc1)ccc1F)c1c2c(/C3=N\NC(N)=N)cc(OC)c1)N2C3=O

InChI

InChI=1S/C26H30FN7O2/c1-26(2)14-16(15-32-8-10-33(11-9-32)18-6-4-17(27)5-7-18)20-12-19(36-3)13-21-22(30-31-25(28)29)24(35)34(26)23(20)21/h4-7,12-14H,8-11,15H2,1-3H3,(H4,28,29,31)

InChI Key

DCRSZLVWSDYAIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32220905

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.987

Distribution Coefficient, logD

-3.405

Water Solubility, LogSw

-3.38

Polar Surface Area

90.857

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

11.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.62

References: we are preparing a list of scientific research reports with Y021-2776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2776?
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What is the minimum amount of Y021-2776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2776
  • 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 Y021-2776 available by request