F501-0751 Screening compound: 5-(3-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}propyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide

F501-0751 Screening compound: 5-(3-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}propyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
F501-0751 Screening compound: 5-(3-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}propyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F501-0751
5-(3-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}propyl)-N-phenyl-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

F501-0751

Molecular Formula

C21H21BrN4O3S (C21 H21 BrN4 O3 S)

Compound Name

5-(3-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}propyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-(3-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}propyl)-N-phenyl-134-thiadiazole-2-carboxamide

SMILES

COc(cc1)c(CNC(CCCc2nnc(C(Nc3ccccc3)=O)s2)=O)cc1Br

InChI

InChI=1S/C21H21BrN4O3S/c1-29-17-11-10-15(22)12-14(17)13-23-18(27)8-5-9-19-25-26-21(30-19)20(28)24-16-6-3-2-4-7-16/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,23,27)(H,24,28)

InChI Key

GKAPAARYPOZIMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14957075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.531

Distribution Coefficient, logD

3.531

Water Solubility, LogSw

-3.86

Polar Surface Area

79.159

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F501-0751 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F501-0751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F501-0751?
Check Price and Availability of F501-0751, 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 F501-0751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F501-0751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F501-0751
  • 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 F501-0751 available by request