8005-3924 Screening compound: 4-(4-nitrophenoxy)-N-{4-[2-(4-{[4-(4-nitrophenoxy)benzoyl]amino}phenyl)-6-phenyl-4-pyrimidinyl]phenyl}benzamide

8005-3924 Screening compound: 4-(4-nitrophenoxy)-N-{4-[2-(4-{[4-(4-nitrophenoxy)benzoyl]amino}phenyl)-6-phenyl-4-pyrimidinyl]phenyl}benzamide
8005-3924 Screening compound: 4-(4-nitrophenoxy)-N-{4-[2-(4-{[4-(4-nitrophenoxy)benzoyl]amino}phenyl)-6-phenyl-4-pyrimidinyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-3924
4-(4-nitrophenoxy)-N-{4-[2-(4-{[4-(4-nitrophenoxy)benzoyl]amino}phenyl)-6-phenyl-4-pyrimidinyl]phenyl}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

8005-3924

Molecular Formula

C48H32N6O8 (C48 H32 N6 O8)

Compound Name

4-(4-nitrophenoxy)-N-{4-[2-(4-{[4-(4-nitrophenoxy)benzoyl]amino}phenyl)-6-phenyl-4-pyrimidinyl]phenyl}benzamide

IUPAC name

4-(4-nitrophenoxy)-N-[4-(2-{4-[4-(4-nitrophenoxy)benzamido]phenyl}-6-phenylpyrimidin-4-yl)phenyl]benzamide

SMILES

[O-][N+](c(cc1)ccc1Oc(cc1)ccc1C(Nc(cc1)ccc1-c1cc(-c2ccccc2)nc(-c(cc2)ccc2NC(c(cc2)ccc2Oc(cc2)ccc2[N+]([O-])=O)=O)n1)=O)=O

InChI

InChI=1S/C48H32N6O8/c55-47(34-10-22-40(23-11-34)61-42-26-18-38(19-27-42)53(57)58)49-36-14-6-32(7-15-36)45-30-44(31-4-2-1-3-5-31)51-46(52-45)33-8-16-37(17-9-33)50-48(56)35-12-24-41(25-13-35)62-43-28-20-39(21-29-43)54(59)60/h1-30H,(H,49,55)(H,50,56)

InChI Key

PJASADODZJTIQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00304009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

820.82

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

11.952

Distribution Coefficient, logD

11.952

Water Solubility, LogSw

-6.33

Polar Surface Area

144.436

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8005-3924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-3924?
Check Price and Availability of 8005-3924, 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 8005-3924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-3924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-3924
  • 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 8005-3924 available by request