V009-7058 Screening compound: 5-(cyclopropylmethyl)-N-phenyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbothioamide

V009-7058 Screening compound: 5-(cyclopropylmethyl)-N-phenyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbothioamide
V009-7058 Screening compound: 5-(cyclopropylmethyl)-N-phenyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-7058
5-(cyclopropylmethyl)-N-phenyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbothioamide

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

V009-7058

Molecular Formula

C22H23N3S (C22 H23 N3 S)

Compound Name

5-(cyclopropylmethyl)-N-phenyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbothioamide

IUPAC name

5-(cyclopropylmethyl)-N-phenyl-1H2H3H4H5H-pyrido[43-b]indole-2-carbothioamide

SMILES

S=C(Nc1ccccc1)N(CC1)Cc2c1n(CC1CC1)c1c2cccc1

InChI

InChI=1S/C22H23N3S/c26-22(23-17-6-2-1-3-7-17)24-13-12-21-19(15-24)18-8-4-5-9-20(18)25(21)14-16-10-11-16/h1-9,16H,10-15H2,(H,23,26)

InChI Key

QRDZHWBYUYFZJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19975619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.51

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.924

Distribution Coefficient, logD

4.924

Water Solubility, LogSw

-4.95

Polar Surface Area

12.507

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

V009-7058 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V009-7058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-7058?
Check Price and Availability of V009-7058, 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 V009-7058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-7058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-7058
  • 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 V009-7058 available by request