F501-0798 Screening compound: 5-{3-[(butan-2-yl)carbamoyl]propyl}-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

F501-0798 Screening compound: 5-{3-[(butan-2-yl)carbamoyl]propyl}-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
F501-0798 Screening compound: 5-{3-[(butan-2-yl)carbamoyl]propyl}-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F501-0798
5-{3-[(butan-2-yl)carbamoyl]propyl}-N-(2-methylphenyl)-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

F501-0798

Molecular Formula

C18H24N4O2S (C18 H24 N4 O2 S)

Compound Name

5-{3-[(butan-2-yl)carbamoyl]propyl}-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-{3-[(butan-2-yl)carbamoyl]propyl}-N-(2-methylphenyl)-134-thiadiazole-2-carboxamide

SMILES

CCC(C)NC(CCCc1nnc(C(Nc2c(C)cccc2)=O)s1)=O

InChI

InChI=1S/C18H24N4O2S/c1-4-13(3)19-15(23)10-7-11-16-21-22-18(25-16)17(24)20-14-9-6-5-8-12(14)2/h5-6,8-9,13H,4,7,10-11H2,1-3H3,(H,19,23)(H,20,24)/t13-/m0/s1

InChI Key

QRWKNGGTZPXAMV-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14957088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.418

Distribution Coefficient, logD

2.418

Water Solubility, LogSw

-2.74

Polar Surface Area

70.544

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

F501-0798 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F501-0798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F501-0798?
Check Price and Availability of F501-0798, 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 F501-0798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F501-0798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F501-0798
  • 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 F501-0798 available by request