V015-1646 Screening compound: methyl 3-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)-3-oxopropanoate

V015-1646 Screening compound: methyl 3-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)-3-oxopropanoate
V015-1646 Screening compound: methyl 3-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)-3-oxopropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-1646
methyl 3-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)-3-oxopropanoate

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

V015-1646

Molecular Formula

C27H23F3N2O5 (C27 H23 F3 N2 O5)

Compound Name

methyl 3-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)-3-oxopropanoate

IUPAC name

methyl 3-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H2H3H4H9H-pyrido[34-b]indol-2-yl)-3-oxopropanoate

SMILES

COC(CC(N(CC1)C(c2ccc(-c3c(C(F)(F)F)cccc3)o2)c2c1c(cc(cc1)OC)c1[nH]2)=O)=O

InChI

InChI=1S/C27H23F3N2O5/c1-35-15-7-8-20-18(13-15)16-11-12-32(23(33)14-24(34)36-2)26(25(16)31-20)22-10-9-21(37-22)17-5-3-4-6-19(17)27(28,29)30/h3-10,13,26,31H,11-12,14H2,1-2H3/t26-/m0/s1

InChI Key

LTGCVURKESMZOC-SANMLTNESA-N

MDL Number (MFCD)

MFCD19965595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.956

Distribution Coefficient, logD

4.956

Water Solubility, LogSw

-4.75

Polar Surface Area

62.338

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

V015-1646 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 V015-1646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-1646?
Check Price and Availability of V015-1646, 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 V015-1646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-1646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-1646
  • 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 V015-1646 available by request