V013-4981 Screening compound: 1-(2-ethoxyethyl)-4-[2-fluoro-6-(trifluoromethyl)benzamido]-1H-indol-5-yl N,N-diethylcarbamate

V013-4981 Screening compound: 1-(2-ethoxyethyl)-4-[2-fluoro-6-(trifluoromethyl)benzamido]-1H-indol-5-yl N,N-diethylcarbamate
V013-4981 Screening compound: 1-(2-ethoxyethyl)-4-[2-fluoro-6-(trifluoromethyl)benzamido]-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4981
1-(2-ethoxyethyl)-4-[2-fluoro-6-(trifluoromethyl)benzamido]-1H-indol-5-yl N,N-diethylcarbamate

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

V013-4981

Molecular Formula

C25H27F4N3O4 (C25 H27 F4 N3 O4)

Compound Name

1-(2-ethoxyethyl)-4-[2-fluoro-6-(trifluoromethyl)benzamido]-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

1-(2-ethoxyethyl)-4-[2-fluoro-6-(trifluoromethyl)benzamido]-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1CCOCC)c2NC(c(c(C(F)(F)F)ccc1)c1F)=O)=O

InChI

InChI=1S/C25H27F4N3O4/c1-4-31(5-2)24(34)36-20-11-10-19-16(12-13-32(19)14-15-35-6-3)22(20)30-23(33)21-17(25(27,28)29)8-7-9-18(21)26/h7-13H,4-6,14-15H2,1-3H3,(H,30,33)

InChI Key

PGHRQYHTMRZLIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19948092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.638

Distribution Coefficient, logD

2.987

Water Solubility, LogSw

-4.57

Polar Surface Area

53.967

Acid Dissociation Constant (pKa)

5.76

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V013-4981 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V013-4981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4981?
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What is the minimum amount of V013-4981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4981
  • 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 V013-4981 available by request