L057-0660 Screening compound: ethyl 2-({[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]carbamoyl}amino)benzoate

L057-0660 Screening compound: ethyl 2-({[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]carbamoyl}amino)benzoate
L057-0660 Screening compound: ethyl 2-({[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L057-0660
ethyl 2-({[(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

L057-0660

Molecular Formula

C27H27N3O4 (C27 H27 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cccc1)c1NC(NCc1cc(N(C(C)C2)C(c3ccccc3)=O)c2cc1)=O)=O

InChI

InChI=1S/C27H27N3O4/c1-3-34-26(32)22-11-7-8-12-23(22)29-27(33)28-17-19-13-14-21-15-18(2)30(24(21)16-19)25(31)20-9-5-4-6-10-20/h4-14,16,18H,3,15,17H2,1-2H3,(H2,28,29,33)/t18-/m1/s1

InChI Key

BQGVVRPBTWAPNC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27643043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.333

Distribution Coefficient, logD

4.332

Water Solubility, LogSw

-4.26

Polar Surface Area

68.537

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

L057-0660 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L057-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L057-0660?
Check Price and Availability of L057-0660, 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 L057-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L057-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L057-0660
  • 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 L057-0660 available by request