2702-0089 Screening compound: (3Z)-5-methyl-3-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2,3-dihydrofuran-2-one

2702-0089 Screening compound: (3Z)-5-methyl-3-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2,3-dihydrofuran-2-one
2702-0089 Screening compound: (3Z)-5-methyl-3-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2,3-dihydrofuran-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2702-0089
(3Z)-5-methyl-3-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2,3-dihydrofuran-2-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

2702-0089

Molecular Formula

C16H11NO5 (C16 H11 NO5)

Compound Name

(3Z)-5-methyl-3-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2,3-dihydrofuran-2-one

IUPAC name

(3Z)-5-methyl-3-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-23-dihydrofuran-2-one

SMILES

CC(OC1=O)=C/C1=C/c1ccc(-c(cc2)ccc2[N+]([O-])=O)o1

InChI

InChI=1S/C16H11NO5/c1-10-8-12(16(18)21-10)9-14-6-7-15(22-14)11-2-4-13(5-3-11)17(19)20/h2-9H,1H3

InChI Key

ZMWATAVOYATCAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.923

Distribution Coefficient, logD

3.923

Water Solubility, LogSw

-4.12

Polar Surface Area

64.011

Acid Dissociation Constant (pKa)

31.31

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 2702-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2702-0089?
Check Price and Availability of 2702-0089, 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 2702-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2702-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2702-0089
  • 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 2702-0089 available by request