F500-0159 Screening compound: 5-[({[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}methoxy)methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

F500-0159 Screening compound: 5-[({[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}methoxy)methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
F500-0159 Screening compound: 5-[({[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}methoxy)methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F500-0159
5-[({[2-(4-ethylpiperazin-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

F500-0159

Molecular Formula

C21H30N6O4S (C21 H30 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCN1CCN(CCNC(COCc2nnc(C(Nc(cc3)ccc3OC)=O)s2)=O)CC1

InChI

InChI=1S/C21H30N6O4S/c1-3-26-10-12-27(13-11-26)9-8-22-18(28)14-31-15-19-24-25-21(32-19)20(29)23-16-4-6-17(30-2)7-5-16/h4-7H,3,8-15H2,1-2H3,(H,22,28)(H,23,29)

InChI Key

IYOCRIYOSDLFIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14956499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.361

Distribution Coefficient, logD

-0.431

Water Solubility, LogSw

-2.17

Polar Surface Area

94.868

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

F500-0159 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F500-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F500-0159?
Check Price and Availability of F500-0159, 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 F500-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F500-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F500-0159
  • 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 F500-0159 available by request