Y070-4794 Screening compound: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-nitrophenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

Y070-4794 Screening compound: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-nitrophenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
Y070-4794 Screening compound: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-nitrophenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-4794
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-nitrophenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

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

Y070-4794

Molecular Formula

C27H22N2O7 (C27 H22 N2 O7)

Compound Name

2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-nitrophenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

2-[2-(34-dimethoxyphenyl)ethyl]-1-(4-nitrophenyl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

COc(ccc(CCN(C(C1=C2Oc(cccc3)c3C1=O)c(cc1)ccc1[N+]([O-])=O)C2=O)c1)c1OC

InChI

InChI=1S/C27H22N2O7/c1-34-21-12-7-16(15-22(21)35-2)13-14-28-24(17-8-10-18(11-9-17)29(32)33)23-25(30)19-5-3-4-6-20(19)36-26(23)27(28)31/h3-12,15,24H,13-14H2,1-2H3/t24-/m1/s1

InChI Key

CIOOEDYFRDCZNM-XMMPIXPASA-N

MDL Number (MFCD)

MFCD04178577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.183

Distribution Coefficient, logD

4.183

Water Solubility, LogSw

-4.45

Polar Surface Area

85.354

Acid Dissociation Constant (pKa)

17.08

Base Dissociation Constant (pKb)

-6.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

Y070-4794 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 Y070-4794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4794?
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What is the minimum amount of Y070-4794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4794
  • 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 Y070-4794 available by request