H027-2084C Screening compound: methyl 2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetate

H027-2084C Screening compound: methyl 2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetate
H027-2084C Screening compound: methyl 2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-2084C
methyl 2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetate

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

H027-2084C

Molecular Formula

C16H19F3N2O3 (C16 H19 F3 N2 O3)

Compound Name

methyl 2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetate

IUPAC name

methyl 2-{2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl}acetate

SMILES

CN(C)Cc1c(CC(OC)=O)c(c(C(F)(F)F)c(cc2)OC)c2[nH]1

InChI

InChI=1S/C16H19F3N2O3/c1-21(2)8-11-9(7-13(22)24-4)14-10(20-11)5-6-12(23-3)15(14)16(17,18)19/h5-6,20H,7-8H2,1-4H3

InChI Key

LHPXPVMJJCILIP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

344.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.691

Distribution Coefficient, logD

-0.158

Water Solubility, LogSw

-2.39

Polar Surface Area

42.950

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

9.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

H027-2084C in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with H027-2084C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-2084C?
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What is the minimum amount of H027-2084C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-2084C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-2084C
  • 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 H027-2084C available by request