0814-0170 Screening compound: 2-cyclohexyl-4-[4-(4-nitrophenoxy)benzoyloxy]phenyl 4-(4-nitrophenoxy)benzoate

0814-0170 Screening compound: 2-cyclohexyl-4-[4-(4-nitrophenoxy)benzoyloxy]phenyl 4-(4-nitrophenoxy)benzoate
0814-0170 Screening compound: 2-cyclohexyl-4-[4-(4-nitrophenoxy)benzoyloxy]phenyl 4-(4-nitrophenoxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0814-0170
2-cyclohexyl-4-[4-(4-nitrophenoxy)benzoyloxy]phenyl 4-(4-nitrophenoxy)benzoate

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

0814-0170

Molecular Formula

C38H30N2O10 (C38 H30 N2 O10)

Compound Name

2-cyclohexyl-4-[4-(4-nitrophenoxy)benzoyloxy]phenyl 4-(4-nitrophenoxy)benzoate

IUPAC name

2-cyclohexyl-4-[4-(4-nitrophenoxy)benzoyloxy]phenyl 4-(4-nitrophenoxy)benzoate

SMILES

[O-][N+](c(cc1)ccc1Oc(cc1)ccc1C(Oc(cc1)cc(C2CCCCC2)c1OC(c(cc1)ccc1Oc(cc1)ccc1[N+]([O-])=O)=O)=O)=O

InChI

InChI=1S/C38H30N2O10/c41-37(26-6-14-30(15-7-26)47-32-18-10-28(11-19-32)39(43)44)49-34-22-23-36(35(24-34)25-4-2-1-3-5-25)50-38(42)27-8-16-31(17-9-27)48-33-20-12-29(13-21-33)40(45)46/h6-25H,1-5H2

InChI Key

ZQLLUXJABBNPRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00304687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

674.66

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

9.595

Distribution Coefficient, logD

9.595

Water Solubility, LogSw

-6.17

Polar Surface Area

121.260

Acid Dissociation Constant (pKa)

24.51

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

0814-0170 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Pool
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0814-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0814-0170?
Check Price and Availability of 0814-0170, 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 0814-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0814-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0814-0170
  • 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 0814-0170 available by request