L057-0712 Screening compound: methyl 3-({[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]carbamoyl}amino)benzoate

L057-0712 Screening compound: methyl 3-({[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]carbamoyl}amino)benzoate
L057-0712 Screening compound: methyl 3-({[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L057-0712
methyl 3-({[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]carbamoyl}amino)benzoate

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

L057-0712

Molecular Formula

C26H25N3O4 (C26 H25 N3 O4)

Compound Name

methyl 3-({[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]carbamoyl}amino)benzoate

IUPAC name

methyl 3-({[(1-benzoyl-2-methyl-23-dihydro-1H-indol-6-yl)methyl]carbamoyl}amino)benzoate

SMILES

CC(C1)N(C(c2ccccc2)=O)c2c1ccc(CNC(Nc1cc(C(OC)=O)ccc1)=O)c2

InChI

InChI=1S/C26H25N3O4/c1-17-13-20-12-11-18(14-23(20)29(17)24(30)19-7-4-3-5-8-19)16-27-26(32)28-22-10-6-9-21(15-22)25(31)33-2/h3-12,14-15,17H,13,16H2,1-2H3,(H2,27,28,32)/t17-/m1/s1

InChI Key

VFILSENNASTUIV-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27227161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.335

Distribution Coefficient, logD

4.335

Water Solubility, LogSw

-4.35

Polar Surface Area

69.655

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

L057-0712 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L057-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L057-0712?
Check Price and Availability of L057-0712, 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 L057-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L057-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L057-0712
  • 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 L057-0712 available by request