E849-0341 Screening compound: N-[2-(4-CHLOROPHENYL)ETHYL]-8-METHYL-4-PROPANOYL-1-THIA-4,8-DIAZASPIRO[4.5]DECANE-3-CARBOXAMIDE

E849-0341 Screening compound: N-[2-(4-CHLOROPHENYL)ETHYL]-8-METHYL-4-PROPANOYL-1-THIA-4,8-DIAZASPIRO[4.5]DECANE-3-CARBOXAMIDE
E849-0341 Screening compound: N-[2-(4-CHLOROPHENYL)ETHYL]-8-METHYL-4-PROPANOYL-1-THIA-4,8-DIAZASPIRO[4.5]DECANE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E849-0341
N-[2-(4-CHLOROPHENYL)ETHYL]-8-METHYL-4-PROPANOYL-1-THIA-4,8-DIAZASPIRO[4.5]DECANE-3-CARBOXAMIDE

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

E849-0341

Molecular Formula

C20H28ClN3O2S (C20 H28 ClN3 O2 S)

Compound Name

N-[2-(4-CHLOROPHENYL)ETHYL]-8-METHYL-4-PROPANOYL-1-THIA-4,8-DIAZASPIRO[4.5]DECANE-3-CARBOXAMIDE

IUPAC name

n/a

SMILES

CCC(N1C2(CCN(C)CC2)SCC1C(NCCc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C20H28ClN3O2S/c1-3-18(25)24-17(14-27-20(24)9-12-23(2)13-10-20)19(26)22-11-8-15-4-6-16(21)7-5-15/h4-7,17H,3,8-14H2,1-2H3,(H,22,26)/t17-/m0/s1

InChI Key

DHDBDFYNNWGBGC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14921630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.198

Distribution Coefficient, logD

0.462

Water Solubility, LogSw

-3.19

Polar Surface Area

43.479

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.00

E849-0341 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E849-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E849-0341?
Check Price and Availability of E849-0341, 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 E849-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E849-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E849-0341
  • 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 E849-0341 available by request