4401-0062 Screening compound: (6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea

4401-0062 Screening compound: (6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea
4401-0062 Screening compound: (6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4401-0062
(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)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

4401-0062

Molecular Formula

C14H17N3O (C14 H17 N3 O)

Compound Name

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

IUPAC name

(6-methyl-2349-tetrahydro-1H-carbazol-1-yl)urea

SMILES

Cc(cc1)cc2c1[nH]c1c2CCCC1NC(N)=O

InChI

InChI=1S/C14H17N3O/c1-8-5-6-11-10(7-8)9-3-2-4-12(13(9)16-11)17-14(15)18/h5-7,12,16H,2-4H2,1H3,(H3,15,17,18)/t12-/m0/s1

InChI Key

BVIXGGBKDPPGHJ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00846363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.416

Distribution Coefficient, logD

2.416

Water Solubility, LogSw

-2.80

Polar Surface Area

55.675

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

4401-0062 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4401-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4401-0062?
Check Price and Availability of 4401-0062, 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 4401-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4401-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4401-0062
  • 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 4401-0062 available by request