CM4182-1985 Screening compound: N~2~-[(3-morpholinotetrahydro-3-furanyl)methyl]-5-(1H-1,2,4-triazol-1-ylmethyl)-2-furamide

CM4182-1985 Screening compound: N~2~-[(3-morpholinotetrahydro-3-furanyl)methyl]-5-(1H-1,2,4-triazol-1-ylmethyl)-2-furamide
CM4182-1985 Screening compound: N~2~-[(3-morpholinotetrahydro-3-furanyl)methyl]-5-(1H-1,2,4-triazol-1-ylmethyl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4182-1985
N~2~-[(3-morpholinotetrahydro-3-furanyl)methyl]-5-(1H-1,2,4-triazol-1-ylmethyl)-2-furamide

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

CM4182-1985

Molecular Formula

C17H23N5O4 (C17 H23 N5 O4)

Compound Name

N~2~-[(3-morpholinotetrahydro-3-furanyl)methyl]-5-(1H-1,2,4-triazol-1-ylmethyl)-2-furamide

IUPAC name

N-{[3-(morpholin-4-yl)oxolan-3-yl]methyl}-5-[(1H-124-triazol-1-yl)methyl]furan-2-carboxamide

SMILES

O=C(c1ccc(Cn2ncnc2)o1)NCC1(COCC1)N1CCOCC1

InChI

InChI=1S/C17H23N5O4/c23-16(15-2-1-14(26-15)9-22-13-18-12-20-22)19-10-17(3-6-25-11-17)21-4-7-24-8-5-21/h1-2,12-13H,3-11H2,(H,19,23)/t17-/m1/s1

InChI Key

RVAKQANJSVSAMT-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD30465132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.145

Distribution Coefficient, logD

-0.146

Water Solubility, LogSw

-1.51

Polar Surface Area

77.384

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

CM4182-1985 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with CM4182-1985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4182-1985?
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What is the minimum amount of CM4182-1985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4182-1985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4182-1985
  • 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 CM4182-1985 available by request