8008-8546 Screening compound: N~2~-(5-{[4-(tert-butyl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide

8008-8546 Screening compound: N~2~-(5-{[4-(tert-butyl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
8008-8546 Screening compound: N~2~-(5-{[4-(tert-butyl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8546
N~2~-(5-{[4-(tert-butyl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide

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

8008-8546

Molecular Formula

C18H19N3O2S2 (C18 H19 N3 O2 S2)

Compound Name

N~2~-(5-{[4-(tert-butyl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide

IUPAC name

N-{5-[(4-tert-butylphenoxy)methyl]-134-thiadiazol-2-yl}thiophene-2-carboxamide

SMILES

CC(C)(C)c(cc1)ccc1OCc1nnc(NC(c2cccs2)=O)s1

InChI

InChI=1S/C18H19N3O2S2/c1-18(2,3)12-6-8-13(9-7-12)23-11-15-20-21-17(25-15)19-16(22)14-5-4-10-24-14/h4-10H,11H2,1-3H3,(H,19,21,22)

InChI Key

GTPJOWDURNUNLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01130452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

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

5.255

Distribution Coefficient, logD

4.933

Water Solubility, LogSw

-5.07

Polar Surface Area

55.616

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

8008-8546 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 8008-8546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8546?
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What is the minimum amount of 8008-8546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8546
  • 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 8008-8546 available by request