8008-8545 Screening compound: N-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}heptanamide

8008-8545 Screening compound: N-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}heptanamide
8008-8545 Screening compound: N-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}heptanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8545
N-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}heptanamide

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

8008-8545

Molecular Formula

C20H29N3O2S (C20 H29 N3 O2 S)

Compound Name

N-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}heptanamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H29N3O2S/c1-5-6-7-8-9-17(24)21-19-23-22-18(26-19)14-25-16-12-10-15(11-13-16)20(2,3)4/h10-13H,5-9,14H2,1-4H3,(H,21,23,24)

InChI Key

SHHPCRQJHNNJNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01130447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.981

Distribution Coefficient, logD

5.828

Water Solubility, LogSw

-5.17

Polar Surface Area

54.656

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

References: we are preparing a list of scientific research reports with 8008-8545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8545?
Check Price and Availability of 8008-8545, 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 8008-8545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8545
  • 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 8008-8545 available by request