E135-1147 Screening compound: 3-[3,4-dihydro-1(2H)-quinolinylcarbonyl]-2-methyl-5-(2-thienyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

E135-1147 Screening compound: 3-[3,4-dihydro-1(2H)-quinolinylcarbonyl]-2-methyl-5-(2-thienyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
E135-1147 Screening compound: 3-[3,4-dihydro-1(2H)-quinolinylcarbonyl]-2-methyl-5-(2-thienyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-1147
3-[3,4-dihydro-1(2H)-quinolinylcarbonyl]-2-methyl-5-(2-thienyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

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

E135-1147

Molecular Formula

C18H17N3O3S2 (C18 H17 N3 O3 S2)

Compound Name

3-[3,4-dihydro-1(2H)-quinolinylcarbonyl]-2-methyl-5-(2-thienyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

IUPAC name

2-methyl-3-(1234-tetrahydroquinoline-1-carbonyl)-5-(thiophen-2-yl)-2H-1lambda626-thiadiazine-11-dione

SMILES

CN(C(C(N(CCC1)c2c1cccc2)=O)=CC(c1cccs1)=N1)S1(=O)=O

InChI

InChI=1S/C18H17N3O3S2/c1-20-16(12-14(19-26(20,23)24)17-9-5-11-25-17)18(22)21-10-4-7-13-6-2-3-8-15(13)21/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3

InChI Key

PCFBGRICFWHMKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.226

Distribution Coefficient, logD

3.226

Water Solubility, LogSw

-3.66

Polar Surface Area

61.559

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E135-1147 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E135-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-1147?
Check Price and Availability of E135-1147, 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 E135-1147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-1147
  • 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 E135-1147 available by request