L057-0679 Screening compound: 3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-[2-(trifluoromethyl)phenyl]urea

L057-0679 Screening compound: 3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-[2-(trifluoromethyl)phenyl]urea
L057-0679 Screening compound: 3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-[2-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L057-0679
3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-[2-(trifluoromethyl)phenyl]urea

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

L057-0679

Molecular Formula

C25H22F3N3O2 (C25 H22 F3 N3 O2)

Compound Name

3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-[2-(trifluoromethyl)phenyl]urea

IUPAC name

3-[(1-benzoyl-2-methyl-23-dihydro-1H-indol-6-yl)methyl]-1-[2-(trifluoromethyl)phenyl]urea

SMILES

CC(C1)N(C(c2ccccc2)=O)c2c1ccc(CNC(Nc1c(C(F)(F)F)cccc1)=O)c2

InChI

InChI=1S/C25H22F3N3O2/c1-16-13-19-12-11-17(14-22(19)31(16)23(32)18-7-3-2-4-8-18)15-29-24(33)30-21-10-6-5-9-20(21)25(26,27)28/h2-12,14,16H,13,15H2,1H3,(H2,29,30,33)/t16-/m1/s1

InChI Key

XUTMSHDOLVJYGO-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27227138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.580

Distribution Coefficient, logD

4.580

Water Solubility, LogSw

-4.43

Polar Surface Area

47.783

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

L057-0679 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L057-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L057-0679?
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What is the minimum amount of L057-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L057-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L057-0679
  • 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 L057-0679 available by request