F499-0097 Screening compound: 5-{[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

F499-0097 Screening compound: 5-{[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
F499-0097 Screening compound: 5-{[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F499-0097
5-{[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

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

F499-0097

Molecular Formula

C21H26N4O3S2 (C21 H26 N4 O3 S2)

Compound Name

5-{[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-{[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]methyl}-N-(4-methoxyphenyl)-134-thiadiazole-2-carboxamide

SMILES

COc(cc1)ccc1NC(c1nnc(CSCC(NCCC2=CCCCC2)=O)s1)=O

InChI

InChI=1S/C21H26N4O3S2/c1-28-17-9-7-16(8-10-17)23-20(27)21-25-24-19(30-21)14-29-13-18(26)22-12-11-15-5-3-2-4-6-15/h5,7-10H,2-4,6,11-14H2,1H3,(H,22,26)(H,23,27)

InChI Key

JSYYFOUMGQDQJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14956142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.361

Distribution Coefficient, logD

3.361

Water Solubility, LogSw

-3.63

Polar Surface Area

79.106

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with F499-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F499-0097?
Check Price and Availability of F499-0097, 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 F499-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F499-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F499-0097
  • 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 F499-0097 available by request