Y021-0394 Screening compound: 2-amino-3-cyano-4',4',6'-trimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl 3,4,5-trimethoxybenzoate

Y021-0394 Screening compound: 2-amino-3-cyano-4',4',6'-trimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl 3,4,5-trimethoxybenzoate
Y021-0394 Screening compound: 2-amino-3-cyano-4',4',6'-trimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0394
2-amino-3-cyano-4',4',6'-trimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl 3,4,5-trimethoxybenzoate

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

Y021-0394

Molecular Formula

C33H33N3O8 (C33 H33 N3 O8)

Compound Name

2-amino-3-cyano-4',4',6'-trimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl 3,4,5-trimethoxybenzoate

IUPAC name

2-amino-3-cyano-5'5'7'-trimethyl-3'5-dioxo-5678-tetrahydro-4'-azaspiro[chromene-42'-tricyclo[6.3.1.0^{412}]dodecane]-1'(11')8'(12')9'-trien-10'-yl 345-trimethoxybenzoate

SMILES

CC(CC1(C)C)c2cc(OC(c(cc3OC)cc(OC)c3OC)=O)cc(C34C(C#N)=C(N)OC(CCC5)=C3C5=O)c2N1C4=O

InChI

InChI=1S/C33H33N3O8/c1-16-14-32(2,3)36-27-19(16)12-18(43-30(38)17-10-24(40-4)28(42-6)25(11-17)41-5)13-20(27)33(31(36)39)21(15-34)29(35)44-23-9-7-8-22(37)26(23)33/h10-13,16H,7-9,14,35H2,1-6H3

InChI Key

FSOVJIGEGZGLHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06002353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

599.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.990

Distribution Coefficient, logD

2.990

Water Solubility, LogSw

-3.40

Polar Surface Area

119.412

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.40

References: we are preparing a list of scientific research reports with Y021-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0394?
Check Price and Availability of Y021-0394, 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 Y021-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0394
  • 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 Y021-0394 available by request