V014-5445 Screening compound: 2-[2-fluoro-5-(trifluoromethyl)benzoyl]-6-methoxy-1-(2-methoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

V014-5445 Screening compound: 2-[2-fluoro-5-(trifluoromethyl)benzoyl]-6-methoxy-1-(2-methoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole
V014-5445 Screening compound: 2-[2-fluoro-5-(trifluoromethyl)benzoyl]-6-methoxy-1-(2-methoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-5445
2-[2-fluoro-5-(trifluoromethyl)benzoyl]-6-methoxy-1-(2-methoxyphenyl)-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

V014-5445

Molecular Formula

C27H22F4N2O3 (C27 H22 F4 N2 O3)

Compound Name

2-[2-fluoro-5-(trifluoromethyl)benzoyl]-6-methoxy-1-(2-methoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

IUPAC name

2-[2-fluoro-5-(trifluoromethyl)benzoyl]-6-methoxy-1-(2-methoxyphenyl)-1H2H3H4H9H-pyrido[34-b]indole

SMILES

COc(cc1)cc2c1[nH]c(C1c(cccc3)c3OC)c2CCN1C(c(cc(C(F)(F)F)cc1)c1F)=O

InChI

InChI=1S/C27H22F4N2O3/c1-35-16-8-10-22-19(14-16)17-11-12-33(25(24(17)32-22)18-5-3-4-6-23(18)36-2)26(34)20-13-15(27(29,30)31)7-9-21(20)28/h3-10,13-14,25,32H,11-12H2,1-2H3/t25-/m1/s1

InChI Key

KKBLJFWPPHXWBP-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19965626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.525

Distribution Coefficient, logD

6.525

Water Solubility, LogSw

-5.94

Polar Surface Area

41.246

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V014-5445 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V014-5445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5445?
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What is the minimum amount of V014-5445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5445
  • 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 V014-5445 available by request