8010-2147 Screening compound: N-(5-{[4-(tert-butyl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide

8010-2147 Screening compound: N-(5-{[4-(tert-butyl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
8010-2147 Screening compound: N-(5-{[4-(tert-butyl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2147
N-(5-{[4-(tert-butyl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide

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

8010-2147

Molecular Formula

C18H25N3O2S (C18 H25 N3 O2 S)

Compound Name

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

IUPAC name

N-{5-[(4-tert-butylphenoxy)methyl]-134-thiadiazol-2-yl}-22-dimethylpropanamide

SMILES

CC(C)(C)C(Nc1nnc(COc2ccc(C(C)(C)C)cc2)s1)=O

InChI

InChI=1S/C18H25N3O2S/c1-17(2,3)12-7-9-13(10-8-12)23-11-14-20-21-16(24-14)19-15(22)18(4,5)6/h7-10H,11H2,1-6H3,(H,19,21,22)

InChI Key

AQPDFYSIAXHWRK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.48

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

4.933

Distribution Coefficient, logD

4.664

Water Solubility, LogSw

-4.56

Polar Surface Area

54.869

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8010-2147 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-2147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2147?
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What is the minimum amount of 8010-2147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2147
  • 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 8010-2147 available by request