4491-0701 Screening compound: 2,6-dimethoxy-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

4491-0701 Screening compound: 2,6-dimethoxy-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
4491-0701 Screening compound: 2,6-dimethoxy-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-0701
2,6-dimethoxy-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-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

4491-0701

Molecular Formula

C14H17N3O3S (C14 H17 N3 O3 S)

Compound Name

2,6-dimethoxy-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

26-dimethoxy-N-[5-(propan-2-yl)-134-thiadiazol-2-yl]benzamide

SMILES

CC(C)c1nnc(NC(c(c(OC)ccc2)c2OC)=O)s1

InChI

InChI=1S/C14H17N3O3S/c1-8(2)13-16-17-14(21-13)15-12(18)11-9(19-3)6-5-7-10(11)20-4/h5-8H,1-4H3,(H,15,17,18)

InChI Key

MOFQTPAHZWVYNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02073362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.622

Distribution Coefficient, logD

-0.575

Water Solubility, LogSw

-3.20

Polar Surface Area

62.135

Acid Dissociation Constant (pKa)

4.20

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

4491-0701 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4491-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-0701?
Check Price and Availability of 4491-0701, 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 4491-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-0701
  • 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 4491-0701 available by request