V005-9076 Screening compound: 2-[4-fluoro-2-(trifluoromethyl)benzoyl]-6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

V005-9076 Screening compound: 2-[4-fluoro-2-(trifluoromethyl)benzoyl]-6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole
V005-9076 Screening compound: 2-[4-fluoro-2-(trifluoromethyl)benzoyl]-6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-9076
2-[4-fluoro-2-(trifluoromethyl)benzoyl]-6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-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

V005-9076

Molecular Formula

C31H21F7N2O3 (C31 H21 F7 N2 O3)

Compound Name

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

IUPAC name

2-[4-fluoro-2-(trifluoromethyl)benzoyl]-6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H2H3H4H9H-pyrido[34-b]indole

SMILES

COc(cc1)cc2c1[nH]c(C1c3ccc(-c4c(C(F)(F)F)cccc4)o3)c2CCN1C(c(cc1)c(C(F)(F)F)cc1F)=O

InChI

InChI=1S/C31H21F7N2O3/c1-42-17-7-9-24-21(15-17)18-12-13-40(29(41)20-8-6-16(32)14-23(20)31(36,37)38)28(27(18)39-24)26-11-10-25(43-26)19-4-2-3-5-22(19)30(33,34)35/h2-11,14-15,28,39H,12-13H2,1H3/t28-/m0/s1

InChI Key

GDFWYGBKSYEDSG-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19965633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.51

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

7.942

Distribution Coefficient, logD

7.942

Water Solubility, LogSw

-5.92

Polar Surface Area

42.015

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.40

V005-9076 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V005-9076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9076?
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What is the minimum amount of V005-9076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9076
  • 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 V005-9076 available by request