V013-3562 Screening compound: N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,4,5-trimethoxybenzamide

V013-3562 Screening compound: N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,4,5-trimethoxybenzamide
V013-3562 Screening compound: N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-3562
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,4,5-trimethoxybenzamide

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

V013-3562

Molecular Formula

C22H23BrN2O4 (C22 H23 BrN2 O4)

Compound Name

N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,4,5-trimethoxybenzamide

IUPAC name

N-(6-bromo-2349-tetrahydro-1H-carbazol-3-yl)-345-trimethoxybenzamide

SMILES

COc1cc(C(NC(CC2)Cc3c2[nH]c(cc2)c3cc2Br)=O)cc(OC)c1OC

InChI

InChI=1S/C22H23BrN2O4/c1-27-19-8-12(9-20(28-2)21(19)29-3)22(26)24-14-5-7-18-16(11-14)15-10-13(23)4-6-17(15)25-18/h4,6,8-10,14,25H,5,7,11H2,1-3H3,(H,24,26)/t14-/m1/s1

InChI Key

PBPSJKGAYUFBML-CQSZACIVSA-N

MDL Number (MFCD)

MFCD19958236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.783

Distribution Coefficient, logD

3.783

Water Solubility, LogSw

-4.34

Polar Surface Area

57.933

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

V013-3562 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V013-3562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-3562?
Check Price and Availability of V013-3562, 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 V013-3562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-3562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-3562
  • 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 V013-3562 available by request