3553-1569 Screening compound: 5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-1,3-dioxane-4,6-dione

3553-1569 Screening compound: 5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-1,3-dioxane-4,6-dione
3553-1569 Screening compound: 5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-1,3-dioxane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3553-1569
5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-1,3-dioxane-4,6-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

3553-1569

Molecular Formula

C22H15NO8 (C22 H15 NO8)

Compound Name

5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-1,3-dioxane-4,6-dione

IUPAC name

5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-13-dioxane-46-dione

SMILES

COc(cc1)cc([N+]([O-])=O)c1-c1ccc(C=C(C(OC(c2ccccc2)O2)=O)C2=O)o1

InChI

InChI=1S/C22H15NO8/c1-28-14-7-9-16(18(12-14)23(26)27)19-10-8-15(29-19)11-17-20(24)30-22(31-21(17)25)13-5-3-2-4-6-13/h2-12,22H,1H3

InChI Key

HVCBLHOLOIPDQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02636993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.36

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

4.427

Water Solubility, LogSw

-4.56

Polar Surface Area

90.677

Acid Dissociation Constant (pKa)

26.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3553-1569 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 3553-1569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3553-1569?
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What is the minimum amount of 3553-1569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3553-1569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3553-1569
  • 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 3553-1569 available by request