V018-2975 Screening compound: 2-chloro-1-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)butan-1-one

V018-2975 Screening compound: 2-chloro-1-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)butan-1-one
V018-2975 Screening compound: 2-chloro-1-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-2975
2-chloro-1-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)butan-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

V018-2975

Molecular Formula

C27H24ClF3N2O3 (C27 H24 ClF3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C27H24ClF3N2O3/c1-3-20(28)26(34)33-13-12-16-18-14-15(35-2)8-9-21(18)32-24(16)25(33)23-11-10-22(36-23)17-6-4-5-7-19(17)27(29,30)31/h4-11,14,20,25,32H,3,12-13H2,1-2H3

InChI Key

XJKWMXUTCOLPKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19965598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.95

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

6.631

Distribution Coefficient, logD

6.631

Water Solubility, LogSw

-5.86

Polar Surface Area

42.286

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

V018-2975 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Indole Derivatives (10091 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V018-2975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-2975?
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What is the minimum amount of V018-2975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-2975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-2975
  • 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 V018-2975 available by request