0777-4294 Screening compound: naphthalen-2-yl 4-(5-pentylpyridin-2-yl)benzoate

0777-4294 Screening compound: naphthalen-2-yl 4-(5-pentylpyridin-2-yl)benzoate
0777-4294 Screening compound: naphthalen-2-yl 4-(5-pentylpyridin-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0777-4294
naphthalen-2-yl 4-(5-pentylpyridin-2-yl)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

0777-4294

Molecular Formula

C27H25NO2 (C27 H25 NO2)

Compound Name

naphthalen-2-yl 4-(5-pentylpyridin-2-yl)benzoate

IUPAC name

naphthalen-2-yl 4-(5-pentylpyridin-2-yl)benzoate

SMILES

CCCCCc(cc1)cnc1-c(cc1)ccc1C(Oc1cc2ccccc2cc1)=O

InChI

InChI=1S/C27H25NO2/c1-2-3-4-7-20-10-17-26(28-19-20)22-11-13-23(14-12-22)27(29)30-25-16-15-21-8-5-6-9-24(21)18-25/h5-6,8-19H,2-4,7H2,1H3

InChI Key

KUAOOZNLGJBGSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00991685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.635

Distribution Coefficient, logD

7.633

Water Solubility, LogSw

-6.21

Polar Surface Area

29.211

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

0777-4294 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0777-4294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0777-4294?
Check Price and Availability of 0777-4294, 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 0777-4294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0777-4294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0777-4294
  • 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 0777-4294 available by request