V015-1634 Screening compound: 6-chloro-1-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)hexan-1-one

V015-1634 Screening compound: 6-chloro-1-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)hexan-1-one
V015-1634 Screening compound: 6-chloro-1-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)hexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-1634
6-chloro-1-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)hexan-1-one

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

V015-1634

Molecular Formula

C29H28ClF3N2O3 (C29 H28 ClF3 N2 O3)

Compound Name

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

IUPAC name

6-chloro-1-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H2H3H4H9H-pyrido[34-b]indol-2-yl)hexan-1-one

SMILES

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

InChI

InChI=1S/C29H28ClF3N2O3/c1-37-18-10-11-23-21(17-18)19-14-16-35(26(36)9-3-2-6-15-30)28(27(19)34-23)25-13-12-24(38-25)20-7-4-5-8-22(20)29(31,32)33/h4-5,7-8,10-13,17,28,34H,2-3,6,9,14-16H2,1H3/t28-/m0/s1

InChI Key

OJIUWGIVPVQZNW-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19965599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.054

Distribution Coefficient, logD

7.054

Water Solubility, LogSw

-5.74

Polar Surface Area

41.759

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

V015-1634 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V015-1634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-1634?
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What is the minimum amount of V015-1634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-1634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-1634
  • 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 V015-1634 available by request