CM3576-2815 Screening compound: 4-[(cyclopropylmethoxy)methyl]-1-({1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl}methyl)-1H-1,2,3-triazole

CM3576-2815 Screening compound: 4-[(cyclopropylmethoxy)methyl]-1-({1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl}methyl)-1H-1,2,3-triazole
CM3576-2815 Screening compound: 4-[(cyclopropylmethoxy)methyl]-1-({1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl}methyl)-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3576-2815
4-[(cyclopropylmethoxy)methyl]-1-({1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl}methyl)-1H-1,2,3-triazole

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

CM3576-2815

Molecular Formula

C18H26N4OS (C18 H26 N4 OS)

Compound Name

4-[(cyclopropylmethoxy)methyl]-1-({1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl}methyl)-1H-1,2,3-triazole

IUPAC name

4-[(cyclopropylmethoxy)methyl]-1-({1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl}methyl)-1H-123-triazole

SMILES

Cc1c(CN2CC(Cn3nnc(COCC4CC4)c3)CC2)scc1

InChI

InChI=1S/C18H26N4OS/c1-14-5-7-24-18(14)11-21-6-4-16(8-21)9-22-10-17(19-20-22)13-23-12-15-2-3-15/h5,7,10,15-16H,2-4,6,8-9,11-13H2,1H3/t16-/m1/s1

InChI Key

YEUUUJVIAPPOOI-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD30465135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.890

Distribution Coefficient, logD

1.378

Water Solubility, LogSw

-2.84

Polar Surface Area

40.983

Acid Dissociation Constant (pKa)

24.90

Base Dissociation Constant (pKb)

8.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

CM3576-2815 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with CM3576-2815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3576-2815?
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What is the minimum amount of CM3576-2815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3576-2815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3576-2815
  • 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 CM3576-2815 available by request