5451-0536 Screening compound: N-[4-(4-tert-butylphenoxy)-9,10-dioxo-9,10-dihydroanthracen-1-yl]acetamide

5451-0536 Screening compound: N-[4-(4-tert-butylphenoxy)-9,10-dioxo-9,10-dihydroanthracen-1-yl]acetamide
5451-0536 Screening compound: N-[4-(4-tert-butylphenoxy)-9,10-dioxo-9,10-dihydroanthracen-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5451-0536
N-[4-(4-tert-butylphenoxy)-9,10-dioxo-9,10-dihydroanthracen-1-yl]acetamide

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

5451-0536

Molecular Formula

C26H23NO4 (C26 H23 NO4)

Compound Name

N-[4-(4-tert-butylphenoxy)-9,10-dioxo-9,10-dihydroanthracen-1-yl]acetamide

IUPAC name

N-[4-(4-tert-butylphenoxy)-910-dioxo-910-dihydroanthracen-1-yl]acetamide

SMILES

CC(C)(C)c(cc1)ccc1Oc(c(C(c1c2cccc1)=O)c1C2=O)ccc1NC(C)=O

InChI

InChI=1S/C26H23NO4/c1-15(28)27-20-13-14-21(31-17-11-9-16(10-12-17)26(2,3)4)23-22(20)24(29)18-7-5-6-8-19(18)25(23)30/h5-14H,1-4H3,(H,27,28)

InChI Key

RUUKUBGUXJRYAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00982374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.679

Distribution Coefficient, logD

5.678

Water Solubility, LogSw

-5.60

Polar Surface Area

55.579

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 5451-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5451-0536?
Check Price and Availability of 5451-0536, 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 5451-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5451-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5451-0536
  • 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 5451-0536 available by request