Y021-3506 Screening compound: 5-[6-(4-chlorophenyl)-4,4,6,8-tetramethyl-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-2-imino-1,3-thiazolan-4-one

Y021-3506 Screening compound: 5-[6-(4-chlorophenyl)-4,4,6,8-tetramethyl-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-2-imino-1,3-thiazolan-4-one
Y021-3506 Screening compound: 5-[6-(4-chlorophenyl)-4,4,6,8-tetramethyl-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-2-imino-1,3-thiazolan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-3506
5-[6-(4-chlorophenyl)-4,4,6,8-tetramethyl-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-2-imino-1,3-thiazolan-4-one

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

Y021-3506

Molecular Formula

C24H22ClN3O2S (C24 H22 ClN3 O2 S)

Compound Name

5-[6-(4-chlorophenyl)-4,4,6,8-tetramethyl-2-oxo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-2-imino-1,3-thiazolan-4-one

IUPAC name

n/a

SMILES

CC(C)(CC(C)(c(cc1)ccc1Cl)c1c2c(/C3=C(\C(N4)=O)/SC4=N)cc(C)c1)N2C3=O

InChI

InChI=1S/C24H22ClN3O2S/c1-12-9-15-17(19-20(29)27-22(26)31-19)21(30)28-18(15)16(10-12)24(4,11-23(28,2)3)13-5-7-14(25)8-6-13/h5-10H,11H2,1-4H3,(H2,26,27,29)/t24-/m0/s1

InChI Key

FKIPMIHBIZVIBB-DEOSSOPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.490

Distribution Coefficient, logD

4.472

Water Solubility, LogSw

-4.63

Polar Surface Area

58.697

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with Y021-3506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-3506?
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What is the minimum amount of Y021-3506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-3506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-3506
  • 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 Y021-3506 available by request