V014-3002 Screening compound: 1-[4-(benzyloxy)phenyl]-2-(5-chloro-2-fluorobenzoyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

V014-3002 Screening compound: 1-[4-(benzyloxy)phenyl]-2-(5-chloro-2-fluorobenzoyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole
V014-3002 Screening compound: 1-[4-(benzyloxy)phenyl]-2-(5-chloro-2-fluorobenzoyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-3002
1-[4-(benzyloxy)phenyl]-2-(5-chloro-2-fluorobenzoyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

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

V014-3002

Molecular Formula

C32H26ClFN2O3 (C32 H26 ClFN2 O3)

Compound Name

1-[4-(benzyloxy)phenyl]-2-(5-chloro-2-fluorobenzoyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

IUPAC name

1-[4-(benzyloxy)phenyl]-2-(5-chloro-2-fluorobenzoyl)-6-methoxy-1H2H3H4H9H-pyrido[34-b]indole

SMILES

COc(cc1)cc2c1[nH]c(C1c(cc3)ccc3OCc3ccccc3)c2CCN1C(c(cc(cc1)Cl)c1F)=O

InChI

InChI=1S/C32H26ClFN2O3/c1-38-24-12-14-29-26(18-24)25-15-16-36(32(37)27-17-22(33)9-13-28(27)34)31(30(25)35-29)21-7-10-23(11-8-21)39-19-20-5-3-2-4-6-20/h2-14,17-18,31,35H,15-16,19H2,1H3/t31-/m1/s1

InChI Key

CBTUSGLTFSWFLF-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD19965654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.02

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.528

Distribution Coefficient, logD

7.528

Water Solubility, LogSw

-6.40

Polar Surface Area

40.843

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.60

V014-3002 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 V014-3002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-3002?
Check Price and Availability of V014-3002, 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 V014-3002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-3002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-3002
  • 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 V014-3002 available by request