5750-2767 Screening compound: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-N-(prop-2-en-1-yl)acetamide

5750-2767 Screening compound: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-N-(prop-2-en-1-yl)acetamide
5750-2767 Screening compound: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-N-(prop-2-en-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-2767
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-N-(prop-2-en-1-yl)acetamide

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

5750-2767

Molecular Formula

C20H18ClN3O2S (C20 H18 ClN3 O2 S)

Compound Name

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-N-(prop-2-en-1-yl)acetamide

IUPAC name

N-[5-(4-chlorophenyl)-134-thiadiazol-2-yl]-2-(4-methoxyphenyl)-N-(prop-2-en-1-yl)acetamide

SMILES

COc1ccc(CC(N(CC=C)c2nnc(-c(cc3)ccc3Cl)s2)=O)cc1

InChI

InChI=1S/C20H18ClN3O2S/c1-3-12-24(18(25)13-14-4-10-17(26-2)11-5-14)20-23-22-19(27-20)15-6-8-16(21)9-7-15/h3-11H,1,12-13H2,2H3

InChI Key

KSFGLKDJCFCXNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03270247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.157

Distribution Coefficient, logD

5.157

Water Solubility, LogSw

-5.70

Polar Surface Area

45.903

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

5750-2767 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5750-2767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-2767?
Check Price and Availability of 5750-2767, 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 5750-2767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-2767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-2767
  • 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 5750-2767 available by request