Y021-0384 Screening compound: 2-amino-3-cyano-4',4',6'-trimethyl-2',5-dioxo-5',6'-dihydro-4'H,5H-spiro[pyrano[3,2-c]chromene-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl benzoate

Y021-0384 Screening compound: 2-amino-3-cyano-4',4',6'-trimethyl-2',5-dioxo-5',6'-dihydro-4'H,5H-spiro[pyrano[3,2-c]chromene-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl benzoate
Y021-0384 Screening compound: 2-amino-3-cyano-4',4',6'-trimethyl-2',5-dioxo-5',6'-dihydro-4'H,5H-spiro[pyrano[3,2-c]chromene-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0384
2-amino-3-cyano-4',4',6'-trimethyl-2',5-dioxo-5',6'-dihydro-4'H,5H-spiro[pyrano[3,2-c]chromene-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl benzoate

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

Y021-0384

Molecular Formula

C33H25N3O6 (C33 H25 N3 O6)

Compound Name

2-amino-3-cyano-4',4',6'-trimethyl-2',5-dioxo-5',6'-dihydro-4'H,5H-spiro[pyrano[3,2-c]chromene-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl benzoate

IUPAC name

2-amino-3-cyano-5'5'7'-trimethyl-3'5-dioxo-5H-4'-azaspiro[pyrano[32-c]chromene-42'-tricyclo[6.3.1.0^{412}]dodecane]-1'(11')8'(12')9'-trien-10'-yl benzoate

SMILES

CC(CC1(C)C)c2cc(OC(c3ccccc3)=O)cc(C34C(C#N)=C(N)OC(c(cccc5)c5O5)=C3C5=O)c2N1C4=O

InChI

InChI=1S/C33H25N3O6/c1-17-15-32(2,3)36-26-21(17)13-19(40-29(37)18-9-5-4-6-10-18)14-22(26)33(31(36)39)23(16-34)28(35)42-27-20-11-7-8-12-24(20)41-30(38)25(27)33/h4-14,17H,15,35H2,1-3H3

InChI Key

UKJAZFAFJOEYEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04226360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.205

Distribution Coefficient, logD

4.205

Water Solubility, LogSw

-4.66

Polar Surface Area

104.532

Acid Dissociation Constant (pKa)

15.99

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.20

Y021-0384 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y021-0384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0384?
Check Price and Availability of Y021-0384, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y021-0384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0384
  • 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 Y021-0384 available by request