V008-3684 Screening compound: 3-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl)-2-(propylsulfanyl)pyridine

V008-3684 Screening compound: 3-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl)-2-(propylsulfanyl)pyridine
V008-3684 Screening compound: 3-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl)-2-(propylsulfanyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3684
3-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl)-2-(propylsulfanyl)pyridine

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

V008-3684

Molecular Formula

C32H28F3N3O3S (C32 H28 F3 N3 O3 S)

Compound Name

3-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl)-2-(propylsulfanyl)pyridine

IUPAC name

3-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H2H3H4H9H-pyrido[34-b]indole-2-carbonyl)-2-(propylsulfanyl)pyridine

SMILES

CCCSc1ncccc1C(N(CC1)C(c2ccc(-c3c(C(F)(F)F)cccc3)o2)c2c1c(cc(cc1)OC)c1[nH]2)=O

InChI

InChI=1S/C32H28F3N3O3S/c1-3-17-42-30-22(8-6-15-36-30)31(39)38-16-14-20-23-18-19(40-2)10-11-25(23)37-28(20)29(38)27-13-12-26(41-27)21-7-4-5-9-24(21)32(33,34)35/h4-13,15,18,29,37H,3,14,16-17H2,1-2H3/t29-/m0/s1

InChI Key

VENTUMQXHQQAJR-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19965618

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

591.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.218

Distribution Coefficient, logD

7.218

Water Solubility, LogSw

-5.77

Polar Surface Area

51.194

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V008-3684 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V008-3684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3684?
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What is the minimum amount of V008-3684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3684
  • 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 V008-3684 available by request