D216-0017 Screening compound: N-[5-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

D216-0017 Screening compound: N-[5-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
D216-0017 Screening compound: N-[5-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0017
N-[5-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]furan-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

D216-0017

Molecular Formula

C18H18N4O3S2 (C18 H18 N4 O3 S2)

Compound Name

N-[5-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

IUPAC name

N-[5-({[(246-trimethylphenyl)carbamoyl]methyl}sulfanyl)-134-thiadiazol-2-yl]furan-2-carboxamide

SMILES

Cc(cc1C)cc(C)c1NC(CSc1nnc(NC(c2ccco2)=O)s1)=O

InChI

InChI=1S/C18H18N4O3S2/c1-10-7-11(2)15(12(3)8-10)19-14(23)9-26-18-22-21-17(27-18)20-16(24)13-5-4-6-25-13/h4-8H,9H2,1-3H3,(H,19,23)(H,20,21,24)

InChI Key

BXYDNYDNXGMGMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05936016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.673

Distribution Coefficient, logD

3.657

Water Solubility, LogSw

-3.78

Polar Surface Area

76.296

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D216-0017 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D216-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0017?
Check Price and Availability of D216-0017, 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 D216-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0017
  • 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 D216-0017 available by request