F736-0569 Screening compound: N-(4-chlorophenyl)-5-[({[(2,5-dimethoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide

F736-0569 Screening compound: N-(4-chlorophenyl)-5-[({[(2,5-dimethoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide
F736-0569 Screening compound: N-(4-chlorophenyl)-5-[({[(2,5-dimethoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F736-0569
N-(4-chlorophenyl)-5-[({[(2,5-dimethoxyphenyl)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

F736-0569

Molecular Formula

C20H19ClN4O4S2 (C20 H19 ClN4 O4 S2)

Compound Name

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

IUPAC name

N-(4-chlorophenyl)-5-[({[(25-dimethoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-134-thiadiazole-2-carboxamide

SMILES

COc(cc1)cc(CNC(CSc2nnc(C(Nc(cc3)ccc3Cl)=O)s2)=O)c1OC

InChI

InChI=1S/C20H19ClN4O4S2/c1-28-15-7-8-16(29-2)12(9-15)10-22-17(26)11-30-20-25-24-19(31-20)18(27)23-14-5-3-13(21)4-6-14/h3-9H,10-11H2,1-2H3,(H,22,26)(H,23,27)

InChI Key

BEJHGEYXUFOOOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14965488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.949

Distribution Coefficient, logD

3.948

Water Solubility, LogSw

-4.53

Polar Surface Area

85.569

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F736-0569 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F736-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F736-0569?
Check Price and Availability of F736-0569, 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 F736-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F736-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F736-0569
  • 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 F736-0569 available by request