D491-4594 Screening compound: 3-chloro-N-[3-(5-iodofuran-2-yl)-1,2,4-thiadiazol-5-yl]benzamide

D491-4594 Screening compound: 3-chloro-N-[3-(5-iodofuran-2-yl)-1,2,4-thiadiazol-5-yl]benzamide
D491-4594 Screening compound: 3-chloro-N-[3-(5-iodofuran-2-yl)-1,2,4-thiadiazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4594
3-chloro-N-[3-(5-iodofuran-2-yl)-1,2,4-thiadiazol-5-yl]benzamide

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

D491-4594

Molecular Formula

C13H7ClIN3O2S (C13 H7 ClIN3 O2 S)

Compound Name

3-chloro-N-[3-(5-iodofuran-2-yl)-1,2,4-thiadiazol-5-yl]benzamide

IUPAC name

3-chloro-N-[3-(5-iodofuran-2-yl)-124-thiadiazol-5-yl]benzamide

SMILES

O=C(c1cc(Cl)ccc1)Nc1nc(-c(o2)ccc2I)ns1

InChI

InChI=1S/C13H7ClIN3O2S/c14-8-3-1-2-7(6-8)12(19)17-13-16-11(18-21-13)9-4-5-10(15)20-9/h1-6H,(H,16,17,18,19)

InChI Key

FXMVBACEAITDSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.799

Distribution Coefficient, logD

4.755

Water Solubility, LogSw

-4.96

Polar Surface Area

52.778

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D491-4594 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D491-4594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4594?
Check Price and Availability of D491-4594, 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 D491-4594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4594
  • 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 D491-4594 available by request