3448-6652 Screening compound: N-{5-[(1E)-1-cyano-2-(4-methoxyphenyl)eth-1-en-1-yl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide

3448-6652 Screening compound: N-{5-[(1E)-1-cyano-2-(4-methoxyphenyl)eth-1-en-1-yl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide
3448-6652 Screening compound: N-{5-[(1E)-1-cyano-2-(4-methoxyphenyl)eth-1-en-1-yl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-6652
N-{5-[(1E)-1-cyano-2-(4-methoxyphenyl)eth-1-en-1-yl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide

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

3448-6652

Molecular Formula

C20H16N4O2S (C20 H16 N4 O2 S)

Compound Name

N-{5-[(1E)-1-cyano-2-(4-methoxyphenyl)eth-1-en-1-yl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide

IUPAC name

N-{5-[(1E)-1-cyano-2-(4-methoxyphenyl)eth-1-en-1-yl]-134-thiadiazol-2-yl}-3-methylbenzamide

SMILES

Cc1cccc(C(Nc2nnc(/C(/C#N)=C/c(cc3)ccc3OC)s2)=O)c1

InChI

InChI=1S/C20H16N4O2S/c1-13-4-3-5-15(10-13)18(25)22-20-24-23-19(27-20)16(12-21)11-14-6-8-17(26-2)9-7-14/h3-11H,1-2H3,(H,22,24,25)

InChI Key

LTMRMWNEAWOCRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02103013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.516

Distribution Coefficient, logD

2.218

Water Solubility, LogSw

-4.45

Polar Surface Area

71.203

Acid Dissociation Constant (pKa)

5.10

Base Dissociation Constant (pKb)

-7.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

3448-6652 in Drug Discovery

Included in Screening Libraries

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3448-6652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-6652?
Check Price and Availability of 3448-6652, 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 3448-6652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-6652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-6652
  • 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 3448-6652 available by request