F736-1112 Screening compound: N-(3-chlorophenyl)-5-[({[(5-methylfuran-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide

F736-1112 Screening compound: N-(3-chlorophenyl)-5-[({[(5-methylfuran-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide
F736-1112 Screening compound: N-(3-chlorophenyl)-5-[({[(5-methylfuran-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F736-1112
N-(3-chlorophenyl)-5-[({[(5-methylfuran-2-yl)methyl]carbamoyl}methyl)sulfanyl]-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

F736-1112

Molecular Formula

C17H15ClN4O3S2 (C17 H15 ClN4 O3 S2)

Compound Name

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

IUPAC name

N-(3-chlorophenyl)-5-[({[(5-methylfuran-2-yl)methyl]carbamoyl}methyl)sulfanyl]-134-thiadiazole-2-carboxamide

SMILES

Cc1ccc(CNC(CSc2nnc(C(Nc3cccc(Cl)c3)=O)s2)=O)o1

InChI

InChI=1S/C17H15ClN4O3S2/c1-10-5-6-13(25-10)8-19-14(23)9-26-17-22-21-16(27-17)15(24)20-12-4-2-3-11(18)7-12/h2-7H,8-9H2,1H3,(H,19,23)(H,20,24)

InChI Key

SLIMVVFJQSXIMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14965648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.965

Distribution Coefficient, logD

3.965

Water Solubility, LogSw

-4.24

Polar Surface Area

77.657

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

F736-1112 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F736-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F736-1112?
Check Price and Availability of F736-1112, 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 F736-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F736-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F736-1112
  • 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 F736-1112 available by request