8008-8006 Screening compound: 4-tert-butyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide

8008-8006 Screening compound: 4-tert-butyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
8008-8006 Screening compound: 4-tert-butyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8006
4-tert-butyl-N-(5-octyl-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

8008-8006

Molecular Formula

C21H31N3OS (C21 H31 N3 OS)

Compound Name

4-tert-butyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide

IUPAC name

4-tert-butyl-N-(5-octyl-134-thiadiazol-2-yl)benzamide

SMILES

CCCCCCCCc1nnc(NC(c2ccc(C(C)(C)C)cc2)=O)s1

InChI

InChI=1S/C21H31N3OS/c1-5-6-7-8-9-10-11-18-23-24-20(26-18)22-19(25)16-12-14-17(15-13-16)21(2,3)4/h12-15H,5-11H2,1-4H3,(H,22,24,25)

InChI Key

USQADFHBNQAIPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01131057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.528

Distribution Coefficient, logD

6.705

Water Solubility, LogSw

-5.61

Polar Surface Area

47.370

Acid Dissociation Constant (pKa)

6.65

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

8008-8006 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8008-8006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8006?
Check Price and Availability of 8008-8006, 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 8008-8006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8006
  • 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 8008-8006 available by request