1629-0068 Screening compound: naphthalen-2-yl 4-tert-butylbenzoate

1629-0068 Screening compound: naphthalen-2-yl 4-tert-butylbenzoate
1629-0068 Screening compound: naphthalen-2-yl 4-tert-butylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1629-0068
naphthalen-2-yl 4-tert-butylbenzoate

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

1629-0068

Molecular Formula

C21H20O2 (C21 H20 O2)

Compound Name

naphthalen-2-yl 4-tert-butylbenzoate

IUPAC name

naphthalen-2-yl 4-tert-butylbenzoate

SMILES

CC(C)(C)c(cc1)ccc1C(Oc1cc2ccccc2cc1)=O

InChI

InChI=1S/C21H20O2/c1-21(2,3)18-11-8-16(9-12-18)20(22)23-19-13-10-15-6-4-5-7-17(15)14-19/h4-14H,1-3H3

InChI Key

WQXXLTVDLSMFFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01063007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.187

Distribution Coefficient, logD

6.187

Water Solubility, LogSw

-6.73

Polar Surface Area

20.345

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

1629-0068 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 1629-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1629-0068?
Check Price and Availability of 1629-0068, 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 1629-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1629-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1629-0068
  • 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 1629-0068 available by request