8017-0274 Screening compound: 1-[4-(cyclopentyloxy)-3-methoxyphenyl]-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline

8017-0274 Screening compound: 1-[4-(cyclopentyloxy)-3-methoxyphenyl]-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline
8017-0274 Screening compound: 1-[4-(cyclopentyloxy)-3-methoxyphenyl]-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0274
1-[4-(cyclopentyloxy)-3-methoxyphenyl]-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline

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

8017-0274

Molecular Formula

C24H28N2O3 (C24 H28 N2 O3)

Compound Name

1-[4-(cyclopentyloxy)-3-methoxyphenyl]-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline

IUPAC name

1-[4-(cyclopentyloxy)-3-methoxyphenyl]-6-methoxy-1H2H3H4H9H-pyrido[34-b]indole

SMILES

COc(cc1)cc2c1[nH]c1c2CCNC1c(cc1)cc(OC)c1OC1CCCC1

InChI

InChI=1S/C24H28N2O3/c1-27-17-8-9-20-19(14-17)18-11-12-25-23(24(18)26-20)15-7-10-21(22(13-15)28-2)29-16-5-3-4-6-16/h7-10,13-14,16,23,25-26H,3-6,11-12H2,1-2H3/t23-/m1/s1

InChI Key

ASXPGUFNHADHRD-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD06013523

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.888

Distribution Coefficient, logD

2.147

Water Solubility, LogSw

-4.34

Polar Surface Area

44.449

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

8017-0274 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8017-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0274?
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What is the minimum amount of 8017-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0274
  • 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 8017-0274 available by request