Y040-6958 Screening compound: 3-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-6H-benzo[c]chromen-6-one

Y040-6958 Screening compound: 3-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-6H-benzo[c]chromen-6-one
Y040-6958 Screening compound: 3-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-6H-benzo[c]chromen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6958
3-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-6H-benzo[c]chromen-6-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

Y040-6958

Molecular Formula

C22H17NO6 (C22 H17 NO6)

Compound Name

3-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-6H-benzo[c]chromen-6-one

IUPAC name

3-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-6H-benzo[c]chromen-6-one

SMILES

Cc(c(O1)c(cc2)-c(cccc3)c3C1=O)c2OCc(cc(cc1)[N+]([O-])=O)c1OC

InChI

InChI=1S/C22H17NO6/c1-13-19(28-12-14-11-15(23(25)26)7-9-20(14)27-2)10-8-17-16-5-3-4-6-18(16)22(24)29-21(13)17/h3-11H,12H2,1-2H3

InChI Key

GOSFEFCAJZSEEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03029581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.405

Distribution Coefficient, logD

4.405

Water Solubility, LogSw

-5.17

Polar Surface Area

68.899

Acid Dissociation Constant (pKa)

28.92

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

Y040-6958 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 Y040-6958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6958?
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What is the minimum amount of Y040-6958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6958
  • 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 Y040-6958 available by request