H027-2013C Screening compound: methyl 2-{4-[(dimethylamino)methyl]-6-fluoro-5-hydroxy-1,2-dimethyl-1H-indol-3-yl}acetate

H027-2013C Screening compound: methyl 2-{4-[(dimethylamino)methyl]-6-fluoro-5-hydroxy-1,2-dimethyl-1H-indol-3-yl}acetate
H027-2013C Screening compound: methyl 2-{4-[(dimethylamino)methyl]-6-fluoro-5-hydroxy-1,2-dimethyl-1H-indol-3-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-2013C
methyl 2-{4-[(dimethylamino)methyl]-6-fluoro-5-hydroxy-1,2-dimethyl-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

H027-2013C

Molecular Formula

C16H21FN2O3 (C16 H21 FN2 O3)

Compound Name

methyl 2-{4-[(dimethylamino)methyl]-6-fluoro-5-hydroxy-1,2-dimethyl-1H-indol-3-yl}acetate

IUPAC name

methyl 2-{4-[(dimethylamino)methyl]-6-fluoro-5-hydroxy-12-dimethyl-1H-indol-3-yl}acetate

SMILES

Cc(n(C)c1c2)c(CC(OC)=O)c1c(CN(C)C)c(O)c2F

InChI

InChI=1S/C16H21FN2O3/c1-9-10(6-14(20)22-5)15-11(8-18(2)3)16(21)12(17)7-13(15)19(9)4/h7,21H,6,8H2,1-5H3

InChI Key

DQKCRZBCDBHYEG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

308.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.867

Distribution Coefficient, logD

-0.235

Water Solubility, LogSw

-1.87

Polar Surface Area

42.466

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

9.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

References: we are preparing a list of scientific research reports with H027-2013C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-2013C?
Check Price and Availability of H027-2013C, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of H027-2013C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-2013C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-2013C
  • 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 H027-2013C available by request