4100-3358 Screening compound: 4-[(1,3,4-thiadiazol-2-yl)carbamoyl]phenyl acetate

4100-3358 Screening compound: 4-[(1,3,4-thiadiazol-2-yl)carbamoyl]phenyl acetate
4100-3358 Screening compound: 4-[(1,3,4-thiadiazol-2-yl)carbamoyl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-3358
4-[(1,3,4-thiadiazol-2-yl)carbamoyl]phenyl acetate

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

4100-3358

Molecular Formula

C11H9N3O3S (C11 H9 N3 O3 S)

Compound Name

4-[(1,3,4-thiadiazol-2-yl)carbamoyl]phenyl acetate

IUPAC name

4-[(134-thiadiazol-2-yl)carbamoyl]phenyl acetate

SMILES

CC(Oc(cc1)ccc1C(Nc1nncs1)=O)=O

InChI

InChI=1S/C11H9N3O3S/c1-7(15)17-9-4-2-8(3-5-9)10(16)13-11-14-12-6-18-11/h2-6H,1H3,(H,13,14,16)

InChI Key

VTOPVXUSEXXSHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00834322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.104

Distribution Coefficient, logD

1.026

Water Solubility, LogSw

-2.19

Polar Surface Area

67.656

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4100-3358 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4100-3358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-3358?
Check Price and Availability of 4100-3358, 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 4100-3358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-3358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-3358
  • 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 4100-3358 available by request