5628-1043 Screening compound: (2E)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

5628-1043 Screening compound: (2E)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
5628-1043 Screening compound: (2E)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5628-1043
(2E)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

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

5628-1043

Molecular Formula

C19H25N3O4S (C19 H25 N3 O4 S)

Compound Name

(2E)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

IUPAC name

(2E)-N-[5-(22-dimethylpropyl)-134-thiadiazol-2-yl]-3-(345-trimethoxyphenyl)prop-2-enamide

SMILES

CC(C)(C)Cc1nnc(NC(/C=C/c(cc2OC)cc(OC)c2OC)=O)s1

InChI

InChI=1S/C19H25N3O4S/c1-19(2,3)11-16-21-22-18(27-16)20-15(23)8-7-12-9-13(24-4)17(26-6)14(10-12)25-5/h7-10H,11H2,1-6H3,(H,20,22,23)

InChI Key

ROSVCDGXOHSIEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03870024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.282

Distribution Coefficient, logD

4.219

Water Solubility, LogSw

-4.31

Polar Surface Area

70.134

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

5628-1043 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5628-1043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5628-1043?
Check Price and Availability of 5628-1043, 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 5628-1043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5628-1043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5628-1043
  • 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 5628-1043 available by request