8018-1288 Screening compound: 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(piperidine-1-sulfonyl)piperazin-1-yl]propan-2-ol

8018-1288 Screening compound: 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(piperidine-1-sulfonyl)piperazin-1-yl]propan-2-ol
8018-1288 Screening compound: 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(piperidine-1-sulfonyl)piperazin-1-yl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1288
1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(piperidine-1-sulfonyl)piperazin-1-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

8018-1288

Molecular Formula

C21H33N3O4S (C21 H33 N3 O4 S)

Compound Name

1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(piperidine-1-sulfonyl)piperazin-1-yl]propan-2-ol

IUPAC name

1-(23-dihydro-1H-inden-5-yloxy)-3-[4-(piperidine-1-sulfonyl)piperazin-1-yl]propan-2-ol

SMILES

OC(CN(CC1)CCN1S(N1CCCCC1)(=O)=O)COc1cc(CCC2)c2cc1

InChI

InChI=1S/C21H33N3O4S/c25-20(17-28-21-8-7-18-5-4-6-19(18)15-21)16-22-11-13-24(14-12-22)29(26,27)23-9-2-1-3-10-23/h7-8,15,20,25H,1-6,9-14,16-17H2/t20-/m0/s1

InChI Key

WSVMKCZDJUTROD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD07022778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.357

Distribution Coefficient, logD

2.317

Water Solubility, LogSw

-2.55

Polar Surface Area

62.301

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.40

8018-1288 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-1288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1288?
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What is the minimum amount of 8018-1288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1288
  • 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 8018-1288 available by request