F736-0747 Screening compound: 5-[({[2-(azepan-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

F736-0747 Screening compound: 5-[({[2-(azepan-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
F736-0747 Screening compound: 5-[({[2-(azepan-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F736-0747
5-[({[2-(azepan-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-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

F736-0747

Molecular Formula

C19H24FN5O2S2 (C19 H24 FN5 O2 S2)

Compound Name

5-[({[2-(azepan-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-[({[2-(azepan-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-N-(4-fluorophenyl)-134-thiadiazole-2-carboxamide

SMILES

O=C(CSc1nnc(C(Nc(cc2)ccc2F)=O)s1)NCCN1CCCCCC1

InChI

InChI=1S/C19H24FN5O2S2/c20-14-5-7-15(8-6-14)22-17(27)18-23-24-19(29-18)28-13-16(26)21-9-12-25-10-3-1-2-4-11-25/h5-8H,1-4,9-13H2,(H,21,26)(H,22,27)

InChI Key

BKMVOWYPNUJVAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14965531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.700

Distribution Coefficient, logD

1.407

Water Solubility, LogSw

-3.15

Polar Surface Area

74.550

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

8.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

F736-0747 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with F736-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F736-0747?
Check Price and Availability of F736-0747, 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 F736-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F736-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F736-0747
  • 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 F736-0747 available by request