L057-1777 Screening compound: ethyl 3-{[({[1-(3-methylbenzoyl)-2,3-dihydro-1H-indol-6-yl]methyl}amino)carbonyl]amino}propanoate

L057-1777 Screening compound: ethyl 3-{[({[1-(3-methylbenzoyl)-2,3-dihydro-1H-indol-6-yl]methyl}amino)carbonyl]amino}propanoate
L057-1777 Screening compound: ethyl 3-{[({[1-(3-methylbenzoyl)-2,3-dihydro-1H-indol-6-yl]methyl}amino)carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L057-1777
ethyl 3-{[({[1-(3-methylbenzoyl)-2,3-dihydro-1H-indol-6-yl]methyl}amino)carbonyl]amino}propanoate

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

L057-1777

Molecular Formula

C23H27N3O4 (C23 H27 N3 O4)

Compound Name

ethyl 3-{[({[1-(3-methylbenzoyl)-2,3-dihydro-1H-indol-6-yl]methyl}amino)carbonyl]amino}propanoate

IUPAC name

ethyl 3-[({[1-(3-methylbenzoyl)-23-dihydro-1H-indol-6-yl]methyl}carbamoyl)amino]propanoate

SMILES

CCOC(CCNC(NCc1cc(N(CC2)C(c3cc(C)ccc3)=O)c2cc1)=O)=O

InChI

InChI=1S/C23H27N3O4/c1-3-30-21(27)9-11-24-23(29)25-15-17-7-8-18-10-12-26(20(18)14-17)22(28)19-6-4-5-16(2)13-19/h4-8,13-14H,3,9-12,15H2,1-2H3,(H2,24,25,29)

InChI Key

SWQDFEAYZSXHME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27227309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.300

Distribution Coefficient, logD

2.300

Water Solubility, LogSw

-2.72

Polar Surface Area

71.136

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

L057-1777 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L057-1777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L057-1777?
Check Price and Availability of L057-1777, 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 L057-1777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L057-1777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L057-1777
  • 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 L057-1777 available by request