1813-1056 Screening compound: 1-{3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-1H-indol-1-yl}-3-(morpholin-4-yl)propan-2-ol

1813-1056 Screening compound: 1-{3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-1H-indol-1-yl}-3-(morpholin-4-yl)propan-2-ol
1813-1056 Screening compound: 1-{3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-1H-indol-1-yl}-3-(morpholin-4-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1813-1056
1-{3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-1H-indol-1-yl}-3-(morpholin-4-yl)propan-2-ol

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

1813-1056

Molecular Formula

C33H38N2O4 (C33 H38 N2 O4)

Compound Name

1-{3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-1H-indol-1-yl}-3-(morpholin-4-yl)propan-2-ol

IUPAC name

1-{3-[11-bis(4-methoxyphenyl)but-1-en-2-yl]-1H-indol-1-yl}-3-(morpholin-4-yl)propan-2-ol

SMILES

CCC(c1cn(CC(CN2CCOCC2)O)c2c1cccc2)=C(c(cc1)ccc1OC)c(cc1)ccc1OC

InChI

InChI=1S/C33H38N2O4/c1-4-29(33(24-9-13-27(37-2)14-10-24)25-11-15-28(38-3)16-12-25)31-23-35(32-8-6-5-7-30(31)32)22-26(36)21-34-17-19-39-20-18-34/h5-16,23,26,36H,4,17-22H2,1-3H3/t26-/m1/s1

InChI Key

UATDULITYYNLKM-AREMUKBSSA-N

MDL Number (MFCD)

MFCD00847683

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

526.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.712

Distribution Coefficient, logD

5.682

Water Solubility, LogSw

-5.60

Polar Surface Area

45.047

Acid Dissociation Constant (pKa)

16.21

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

1813-1056 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1813-1056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1813-1056?
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What is the minimum amount of 1813-1056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1813-1056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1813-1056
  • 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 1813-1056 available by request