3553-1540 Screening compound: 2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione

3553-1540 Screening compound: 2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione
3553-1540 Screening compound: 2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3553-1540
2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-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

3553-1540

Molecular Formula

C21H21NO7 (C21 H21 NO7)

Compound Name

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

IUPAC name

2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-13-dioxane-46-dione

SMILES

CC(C)(C)C(C)(OC(C1=Cc2ccc(-c3cc([N+]([O-])=O)c(C)cc3)o2)=O)OC1=O

InChI

InChI=1S/C21H21NO7/c1-12-6-7-13(10-16(12)22(25)26)17-9-8-14(27-17)11-15-18(23)28-21(5,20(2,3)4)29-19(15)24/h6-11H,1-5H3

InChI Key

AWGDBXKABMJNBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.993

Distribution Coefficient, logD

4.993

Water Solubility, LogSw

-4.85

Polar Surface Area

81.999

Acid Dissociation Constant (pKa)

28.07

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 3553-1540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3553-1540?
Check Price and Availability of 3553-1540, 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 3553-1540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3553-1540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3553-1540
  • 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 3553-1540 available by request