3360-9165 Screening compound: 2-(4-tert-butylphenyl)-5-(3-chloro-6-methyl-1-benzothiophen-2-yl)-1,3,4-oxadiazole

3360-9165 Screening compound: 2-(4-tert-butylphenyl)-5-(3-chloro-6-methyl-1-benzothiophen-2-yl)-1,3,4-oxadiazole
3360-9165 Screening compound: 2-(4-tert-butylphenyl)-5-(3-chloro-6-methyl-1-benzothiophen-2-yl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3360-9165
2-(4-tert-butylphenyl)-5-(3-chloro-6-methyl-1-benzothiophen-2-yl)-1,3,4-oxadiazole

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

3360-9165

Molecular Formula

C21H19ClN2OS (C21 H19 ClN2 OS)

Compound Name

2-(4-tert-butylphenyl)-5-(3-chloro-6-methyl-1-benzothiophen-2-yl)-1,3,4-oxadiazole

IUPAC name

2-(4-tert-butylphenyl)-5-(3-chloro-6-methyl-1-benzothiophen-2-yl)-134-oxadiazole

SMILES

CC(C)(C)c(cc1)ccc1-c1nnc(-c(sc2c3ccc(C)c2)c3Cl)o1

InChI

InChI=1S/C21H19ClN2OS/c1-12-5-10-15-16(11-12)26-18(17(15)22)20-24-23-19(25-20)13-6-8-14(9-7-13)21(2,3)4/h5-11H,1-4H3

InChI Key

XOKOTLGTKZHOEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01922732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.91

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.336

Distribution Coefficient, logD

7.336

Water Solubility, LogSw

-6.89

Polar Surface Area

31.229

Acid Dissociation Constant (pKa)

27.79

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

3360-9165 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3360-9165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3360-9165?
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What is the minimum amount of 3360-9165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3360-9165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3360-9165
  • 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 3360-9165 available by request