0630-0058 Screening compound: 2-(4-butoxyphenyl)-5-{4'-pentyl-[1,1'-biphenyl]-4-yl}-1,3,4-thiadiazole

0630-0058 Screening compound: 2-(4-butoxyphenyl)-5-{4'-pentyl-[1,1'-biphenyl]-4-yl}-1,3,4-thiadiazole
0630-0058 Screening compound: 2-(4-butoxyphenyl)-5-{4'-pentyl-[1,1'-biphenyl]-4-yl}-1,3,4-thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0630-0058
2-(4-butoxyphenyl)-5-{4'-pentyl-[1,1'-biphenyl]-4-yl}-1,3,4-thiadiazole

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

0630-0058

Molecular Formula

C29H32N2OS (C29 H32 N2 OS)

Compound Name

2-(4-butoxyphenyl)-5-{4'-pentyl-[1,1'-biphenyl]-4-yl}-1,3,4-thiadiazole

IUPAC name

2-(4-butoxyphenyl)-5-{4'-pentyl-[11'-biphenyl]-4-yl}-134-thiadiazole

SMILES

CCCCCc(cc1)ccc1-c(cc1)ccc1-c1nnc(-c(cc2)ccc2OCCCC)s1

InChI

InChI=1S/C29H32N2OS/c1-3-5-7-8-22-9-11-23(12-10-22)24-13-15-25(16-14-24)28-30-31-29(33-28)26-17-19-27(20-18-26)32-21-6-4-2/h9-20H,3-8,21H2,1-2H3

InChI Key

YZCBFHOSTBWDTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00642515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.65

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

9.906

Distribution Coefficient, logD

9.906

Water Solubility, LogSw

-5.82

Polar Surface Area

30.346

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

0630-0058 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0630-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0630-0058?
Check Price and Availability of 0630-0058, 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 0630-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0630-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0630-0058
  • 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 0630-0058 available by request