1112-0048 Screening compound: 1-(9H-carbazol-9-yl)-3-(dicyclohexylamino)propan-2-ol

1112-0048 Screening compound: 1-(9H-carbazol-9-yl)-3-(dicyclohexylamino)propan-2-ol
1112-0048 Screening compound: 1-(9H-carbazol-9-yl)-3-(dicyclohexylamino)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1112-0048
1-(9H-carbazol-9-yl)-3-(dicyclohexylamino)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

1112-0048

Molecular Formula

C27H36N2O (C27 H36 N2 O)

Compound Name

1-(9H-carbazol-9-yl)-3-(dicyclohexylamino)propan-2-ol

IUPAC name

1-(9H-carbazol-9-yl)-3-(dicyclohexylamino)propan-2-ol

SMILES

OC(CN(C1CCCCC1)C1CCCCC1)Cn1c(cccc2)c2c2c1cccc2

InChI

InChI=1S/C27H36N2O/c30-23(19-28(21-11-3-1-4-12-21)22-13-5-2-6-14-22)20-29-26-17-9-7-15-24(26)25-16-8-10-18-27(25)29/h7-10,15-18,21-23,30H,1-6,11-14,19-20H2/t23-/m0/s1

InChI Key

NCJMNXZJBOYBDD-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00572894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.6

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.057

Distribution Coefficient, logD

5.635

Water Solubility, LogSw

-6.19

Polar Surface Area

19.655

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

1112-0048 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 1112-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1112-0048?
Check Price and Availability of 1112-0048, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1112-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1112-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1112-0048
  • 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 1112-0048 available by request