8014-9900 Screening compound: 1-(naphthalen-1-yl)-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]urea

8014-9900 Screening compound: 1-(naphthalen-1-yl)-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]urea
8014-9900 Screening compound: 1-(naphthalen-1-yl)-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9900
1-(naphthalen-1-yl)-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]urea

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

8014-9900

Molecular Formula

C24H23N3O (C24 H23 N3 O)

Compound Name

1-(naphthalen-1-yl)-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]urea

IUPAC name

1-(naphthalen-1-yl)-3-[(2349-tetrahydro-1H-carbazol-6-yl)methyl]urea

SMILES

O=C(NCc(cc1)cc2c1[nH]c1c2CCCC1)Nc1cccc2ccccc12

InChI

InChI=1S/C24H23N3O/c28-24(27-21-11-5-7-17-6-1-2-8-18(17)21)25-15-16-12-13-23-20(14-16)19-9-3-4-10-22(19)26-23/h1-2,5-8,11-14,26H,3-4,9-10,15H2,(H2,25,27,28)

InChI Key

AMRQNDZIKYUSAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.47

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.180

Distribution Coefficient, logD

4.180

Water Solubility, LogSw

-4.56

Polar Surface Area

43.665

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

8014-9900 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-9900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9900?
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What is the minimum amount of 8014-9900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9900
  • 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 8014-9900 available by request