Y020-6605 Screening compound: 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-nitrobenzoate

Y020-6605 Screening compound: 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-nitrobenzoate
Y020-6605 Screening compound: 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6605
4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-nitrobenzoate

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

Y020-6605

Molecular Formula

C29H20N4O7 (C29 H20 N4 O7)

Compound Name

4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-nitrobenzoate

IUPAC name

4-{57-dimethyl-4617-trioxo-579-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-3(8)911(16)1214-pentaen-2-yl}phenyl 4-nitrobenzoate

SMILES

CN(C(C(C(C12)c(cc3)ccc3OC(c(cc3)ccc3[N+]([O-])=O)=O)=C(N3C)N=C2c(cccc2)c2C1=O)=O)C3=O

InChI

InChI=1S/C29H20N4O7/c1-31-26-23(27(35)32(2)29(31)37)21(22-24(30-26)19-5-3-4-6-20(19)25(22)34)15-9-13-18(14-10-15)40-28(36)16-7-11-17(12-8-16)33(38)39/h3-14,21-22H,1-2H3

InChI Key

NOJZWXRNPGLSBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01560833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.5

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.999

Distribution Coefficient, logD

2.140

Water Solubility, LogSw

-4.30

Polar Surface Area

105.500

Acid Dissociation Constant (pKa)

5.55

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.80

Y020-6605 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-6605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6605?
Check Price and Availability of Y020-6605, 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 Y020-6605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6605
  • 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 Y020-6605 available by request