8012-9661 Screening compound: 4-(3,5-dimethoxybenzoyl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]benzamide

8012-9661 Screening compound: 4-(3,5-dimethoxybenzoyl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]benzamide
8012-9661 Screening compound: 4-(3,5-dimethoxybenzoyl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9661
4-(3,5-dimethoxybenzoyl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]benzamide

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

8012-9661

Molecular Formula

C28H21FN2O7 (C28 H21 FN2 O7)

Compound Name

4-(3,5-dimethoxybenzoyl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]benzamide

IUPAC name

4-(35-dimethoxybenzoyl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]benzamide

SMILES

COc1cc(C(c(cc2)ccc2C(Nc2cc(Oc(cc3)ccc3F)cc([N+]([O-])=O)c2)=O)=O)cc(OC)c1

InChI

InChI=1S/C28H21FN2O7/c1-36-24-11-19(12-25(16-24)37-2)27(32)17-3-5-18(6-4-17)28(33)30-21-13-22(31(34)35)15-26(14-21)38-23-9-7-20(29)8-10-23/h3-16H,1-2H3,(H,30,33)

InChI Key

KKHNPTQFPOSWDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.280

Distribution Coefficient, logD

6.247

Water Solubility, LogSw

-5.50

Polar Surface Area

92.014

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8012-9661 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8012-9661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9661?
Check Price and Availability of 8012-9661, 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 8012-9661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9661
  • 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 8012-9661 available by request