5989-0649 Screening compound: 1-chloro-3-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-propanol

5989-0649 Screening compound: 1-chloro-3-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-propanol
5989-0649 Screening compound: 1-chloro-3-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-0649
1-chloro-3-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-propanol

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

5989-0649

Molecular Formula

C23H31ClN2O (C23 H31 ClN2 O)

Compound Name

1-chloro-3-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-propanol

IUPAC name

1-chloro-3-{12-cyclohexyl-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)10(15)1113-tetraen-4-yl}propan-2-ol

SMILES

OC(CN1C(CCC2)c3c2c(cc(C2CCCCC2)cc2)c2n3CC1)CCl

InChI

InChI=1S/C23H31ClN2O/c24-14-18(27)15-25-11-12-26-21-10-9-17(16-5-2-1-3-6-16)13-20(21)19-7-4-8-22(25)23(19)26/h9-10,13,16,18,22,27H,1-8,11-12,14-15H2

InChI Key

FQHLSJGZUNDOTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00355588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.96

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.848

Distribution Coefficient, logD

5.720

Water Solubility, LogSw

-6.04

Polar Surface Area

20.395

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

6.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.20

5989-0649 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5989-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-0649?
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What is the minimum amount of 5989-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-0649
  • 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 5989-0649 available by request