0938-7848 Screening compound: (2E)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

0938-7848 Screening compound: (2E)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
0938-7848 Screening compound: (2E)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0938-7848
(2E)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-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

0938-7848

Molecular Formula

C13H13N3OS2 (C13 H13 N3 OS2)

Compound Name

(2E)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

IUPAC name

(2E)-N-[5-(ethylsulfanyl)-134-thiadiazol-2-yl]-3-phenylprop-2-enamide

SMILES

CCSc1nnc(NC(/C=C/c2ccccc2)=O)s1

InChI

InChI=1S/C13H13N3OS2/c1-2-18-13-16-15-12(19-13)14-11(17)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,14,15,17)

InChI Key

FPYBSNPTNUIJHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.221

Water Solubility, LogSw

-4.10

Polar Surface Area

46.022

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

0938-7848 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0938-7848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0938-7848?
Check Price and Availability of 0938-7848, 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 0938-7848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0938-7848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0938-7848
  • 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 0938-7848 available by request