E847-0446 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(4-fluorophenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid

E847-0446 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(4-fluorophenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid
E847-0446 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(4-fluorophenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E847-0446
1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(4-fluorophenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid

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

E847-0446

Molecular Formula

C25H21ClF2N2O2 (C25 H21 ClF2 N2 O2)

Compound Name

1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(4-fluorophenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid

IUPAC name

1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(4-fluorophenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid

SMILES

Cc(cc1)cc2c1c(CNCc(cc1)ccc1F)c(C(O)=O)n2Cc(ccc(F)c1)c1Cl

InChI

InChI=1S/C25H21ClF2N2O2/c1-15-2-9-20-21(13-29-12-16-3-6-18(27)7-4-16)24(25(31)32)30(23(20)10-15)14-17-5-8-19(28)11-22(17)26/h2-11,29H,12-14H2,1H3,(H,31,32)

InChI Key

SNAFUBQGMHHXQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27602124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.596

Distribution Coefficient, logD

5.596

Water Solubility, LogSw

-5.59

Polar Surface Area

40.642

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

10.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with E847-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E847-0446?
Check Price and Availability of E847-0446, 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 E847-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E847-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E847-0446
  • 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 E847-0446 available by request