2237-0154 Screening compound: 4-tert-butyl-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide

2237-0154 Screening compound: 4-tert-butyl-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
2237-0154 Screening compound: 4-tert-butyl-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2237-0154
4-tert-butyl-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide

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

2237-0154

Molecular Formula

C21H23N3O2S (C21 H23 N3 O2 S)

Compound Name

4-tert-butyl-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide

IUPAC name

4-tert-butyl-N-{5-[(4-methoxyphenyl)methyl]-134-thiadiazol-2-yl}benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1nnc(Cc(cc2)ccc2OC)s1)=O

InChI

InChI=1S/C21H23N3O2S/c1-21(2,3)16-9-7-15(8-10-16)19(25)22-20-24-23-18(27-20)13-14-5-11-17(26-4)12-6-14/h5-12H,13H2,1-4H3,(H,22,24,25)

InChI Key

UNCWUBPHAJDBBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01131090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.513

Distribution Coefficient, logD

5.154

Water Solubility, LogSw

-5.41

Polar Surface Area

54.642

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

2237-0154 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 2237-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2237-0154?
Check Price and Availability of 2237-0154, 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 2237-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2237-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2237-0154
  • 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 2237-0154 available by request