E644-0544 Screening compound: 4-(2,5-dimethyl-4,5,6,7-tetrahydro-1H-indol-1-yl)-N-[(3-fluorophenyl)methyl]benzamide

E644-0544 Screening compound: 4-(2,5-dimethyl-4,5,6,7-tetrahydro-1H-indol-1-yl)-N-[(3-fluorophenyl)methyl]benzamide
E644-0544 Screening compound: 4-(2,5-dimethyl-4,5,6,7-tetrahydro-1H-indol-1-yl)-N-[(3-fluorophenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E644-0544
4-(2,5-dimethyl-4,5,6,7-tetrahydro-1H-indol-1-yl)-N-[(3-fluorophenyl)methyl]benzamide

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

E644-0544

Molecular Formula

C24H25FN2O (C24 H25 FN2 O)

Compound Name

4-(2,5-dimethyl-4,5,6,7-tetrahydro-1H-indol-1-yl)-N-[(3-fluorophenyl)methyl]benzamide

IUPAC name

4-(25-dimethyl-4567-tetrahydro-1H-indol-1-yl)-N-[(3-fluorophenyl)methyl]benzamide

SMILES

CC(CC1)Cc(cc2C)c1n2-c(cc1)ccc1C(NCc1cccc(F)c1)=O

InChI

InChI=1S/C24H25FN2O/c1-16-6-11-23-20(12-16)13-17(2)27(23)22-9-7-19(8-10-22)24(28)26-15-18-4-3-5-21(25)14-18/h3-5,7-10,13-14,16H,6,11-12,15H2,1-2H3,(H,26,28)/t16-/m1/s1

InChI Key

HWVOIALRPWLYBX-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14907364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.47

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.885

Distribution Coefficient, logD

4.885

Water Solubility, LogSw

-4.61

Polar Surface Area

27.222

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with E644-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E644-0544?
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What is the minimum amount of E644-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E644-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E644-0544
  • 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 E644-0544 available by request