1629-0073 Screening compound: 4-tert-butylphenyl 4-tert-butylbenzoate

1629-0073 Screening compound: 4-tert-butylphenyl 4-tert-butylbenzoate
1629-0073 Screening compound: 4-tert-butylphenyl 4-tert-butylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1629-0073
4-tert-butylphenyl 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

1629-0073

Molecular Formula

C21H26O2 (C21 H26 O2)

Compound Name

4-tert-butylphenyl 4-tert-butylbenzoate

IUPAC name

4-tert-butylphenyl 4-tert-butylbenzoate

SMILES

CC(C)(C)c(cc1)ccc1C(Oc1ccc(C(C)(C)C)cc1)=O

InChI

InChI=1S/C21H26O2/c1-20(2,3)16-9-7-15(8-10-16)19(22)23-18-13-11-17(12-14-18)21(4,5)6/h7-14H,1-6H3

InChI Key

JOWCPMICJQJQGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00223430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.878

Distribution Coefficient, logD

6.878

Water Solubility, LogSw

-5.91

Polar Surface Area

20.616

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

1629-0073 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with 1629-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1629-0073?
Check Price and Availability of 1629-0073, 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 1629-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1629-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1629-0073
  • 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 1629-0073 available by request