E847-0218 Screening compound: 1-[(2-fluorophenyl)methyl]-6-methyl-3-({[(thiophen-2-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid

E847-0218 Screening compound: 1-[(2-fluorophenyl)methyl]-6-methyl-3-({[(thiophen-2-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
E847-0218 Screening compound: 1-[(2-fluorophenyl)methyl]-6-methyl-3-({[(thiophen-2-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E847-0218
1-[(2-fluorophenyl)methyl]-6-methyl-3-({[(thiophen-2-yl)methyl]amino}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

E847-0218

Molecular Formula

C23H21FN2O2S (C23 H21 FN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1c(CNCc1cccs1)c(C(O)=O)n2Cc(cccc1)c1F

InChI

InChI=1S/C23H21FN2O2S/c1-15-8-9-18-19(13-25-12-17-6-4-10-29-17)22(23(27)28)26(21(18)11-15)14-16-5-2-3-7-20(16)24/h2-11,25H,12-14H2,1H3,(H,27,28)

InChI Key

BBFGMZPGJWPOIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

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

4.734

Distribution Coefficient, logD

4.734

Water Solubility, LogSw

-4.56

Polar Surface Area

41.661

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

10.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E847-0218 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E847-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E847-0218?
Check Price and Availability of E847-0218, 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 E847-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E847-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E847-0218
  • 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 E847-0218 available by request