V014-9336 Screening compound: 2-(1,3-benzodioxol-5-yl)-N~1~-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide

V014-9336 Screening compound: 2-(1,3-benzodioxol-5-yl)-N~1~-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide
V014-9336 Screening compound: 2-(1,3-benzodioxol-5-yl)-N~1~-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-9336
2-(1,3-benzodioxol-5-yl)-N~1~-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide

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

V014-9336

Molecular Formula

C22H21ClN2O3 (C22 H21 ClN2 O3)

Compound Name

2-(1,3-benzodioxol-5-yl)-N~1~-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide

IUPAC name

2-(2H-13-benzodioxol-5-yl)-N-(6-chloro-8-methyl-2349-tetrahydro-1H-carbazol-3-yl)acetamide

SMILES

Cc1c2[nH]c(CCC(C3)NC(Cc(cc4)cc5c4OCO5)=O)c3c2cc(Cl)c1

InChI

InChI=1S/C22H21ClN2O3/c1-12-6-14(23)9-17-16-10-15(3-4-18(16)25-22(12)17)24-21(26)8-13-2-5-19-20(7-13)28-11-27-19/h2,5-7,9,15,25H,3-4,8,10-11H2,1H3,(H,24,26)/t15-/m1/s1

InChI Key

UEHAOQPVLMIPRA-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD19960472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.605

Distribution Coefficient, logD

4.605

Water Solubility, LogSw

-4.68

Polar Surface Area

52.628

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

V014-9336 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V014-9336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-9336?
Check Price and Availability of V014-9336, 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 V014-9336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-9336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-9336
  • 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 V014-9336 available by request