V002-7098 Screening compound: N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide

V002-7098 Screening compound: N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
V002-7098 Screening compound: N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-7098
N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide

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

V002-7098

Molecular Formula

C17H23N3OS2 (C17 H23 N3 OS2)

Compound Name

N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide

IUPAC name

N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)butanamide

SMILES

CCCC(Nc1nnc(SCc2ccc(C(C)(C)C)cc2)s1)=O

InChI

InChI=1S/C17H23N3OS2/c1-5-6-14(21)18-15-19-20-16(23-15)22-11-12-7-9-13(10-8-12)17(2,3)4/h7-10H,5-6,11H2,1-4H3,(H,18,19,21)

InChI Key

WZYHXXNHFNTAAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19978874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.262

Distribution Coefficient, logD

5.260

Water Solubility, LogSw

-5.04

Polar Surface Area

46.022

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

References: we are preparing a list of scientific research reports with V002-7098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-7098?
Check Price and Availability of V002-7098, 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 V002-7098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-7098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-7098
  • 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 V002-7098 available by request