H027-1005 Screening compound: ethyl 2-[(dimethylamino)methyl]-6-fluoro-5-hydroxy-4-(1H-imidazol-1-ylmethyl)-1-methyl-1H-indole-3-carboxylate

H027-1005 Screening compound: ethyl 2-[(dimethylamino)methyl]-6-fluoro-5-hydroxy-4-(1H-imidazol-1-ylmethyl)-1-methyl-1H-indole-3-carboxylate
H027-1005 Screening compound: ethyl 2-[(dimethylamino)methyl]-6-fluoro-5-hydroxy-4-(1H-imidazol-1-ylmethyl)-1-methyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-1005
ethyl 2-[(dimethylamino)methyl]-6-fluoro-5-hydroxy-4-(1H-imidazol-1-ylmethyl)-1-methyl-1H-indole-3-carboxylate

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

H027-1005

Molecular Formula

C19H23FN4O3 (C19 H23 FN4 O3)

Compound Name

ethyl 2-[(dimethylamino)methyl]-6-fluoro-5-hydroxy-4-(1H-imidazol-1-ylmethyl)-1-methyl-1H-indole-3-carboxylate

IUPAC name

ethyl 2-[(dimethylamino)methyl]-6-fluoro-5-hydroxy-4-[(1H-imidazol-1-yl)methyl]-1-methyl-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2Cn3cncc3)c(CN(C)C)n(C)c1cc(F)c2O)=O

InChI

InChI=1S/C19H23FN4O3/c1-5-27-19(26)17-15(10-22(2)3)23(4)14-8-13(20)18(25)12(16(14)17)9-24-7-6-21-11-24/h6-8,11,25H,5,9-10H2,1-4H3

InChI Key

KCRCVEKFZZZYHB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

374.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.723

Distribution Coefficient, logD

-1.429

Water Solubility, LogSw

-1.61

Polar Surface Area

54.702

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

10.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

H027-1005 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 H027-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-1005?
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What is the minimum amount of H027-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-1005
  • 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 H027-1005 available by request