F500-0109 Screening compound: 5-[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methoxy)methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

F500-0109 Screening compound: 5-[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methoxy)methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
F500-0109 Screening compound: 5-[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methoxy)methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F500-0109
5-[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methoxy)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

F500-0109

Molecular Formula

C21H26N4O4S (C21 H26 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H26N4O4S/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

BRMVJEFHZOJXPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14956480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.335

Distribution Coefficient, logD

2.335

Water Solubility, LogSw

-2.90

Polar Surface Area

87.541

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F500-0109 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 F500-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F500-0109?
Check Price and Availability of F500-0109, 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 F500-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F500-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F500-0109
  • 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 F500-0109 available by request