F854-0678 Screening compound: N-(3-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide

F854-0678 Screening compound: N-(3-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide
F854-0678 Screening compound: N-(3-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F854-0678
N-(3-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-5-propyl-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

F854-0678

Molecular Formula

C21H21BrN4O3S (C21 H21 BrN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCc1nnc(C(Nc2cccc(C(NCc(cc(cc3)Br)c3OC)=O)c2)=O)s1

InChI

InChI=1S/C21H21BrN4O3S/c1-3-5-18-25-26-21(30-18)20(28)24-16-7-4-6-13(11-16)19(27)23-12-14-10-15(22)8-9-17(14)29-2/h4,6-11H,3,5,12H2,1-2H3,(H,23,27)(H,24,28)

InChI Key

VSTUFEHKOOYKSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14967989

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

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.675

Distribution Coefficient, logD

4.675

Water Solubility, LogSw

-4.50

Polar Surface Area

79.373

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with F854-0678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F854-0678?
Check Price and Availability of F854-0678, 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 F854-0678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F854-0678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F854-0678
  • 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 F854-0678 available by request