V025-5245 Screening compound: ethyl 4-[({[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)(2-methylpropyl)amino]butanoate

V025-5245 Screening compound: ethyl 4-[({[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)(2-methylpropyl)amino]butanoate
V025-5245 Screening compound: ethyl 4-[({[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)(2-methylpropyl)amino]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5245
ethyl 4-[({[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)(2-methylpropyl)amino]butanoate

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

V025-5245

Molecular Formula

C29H37Cl2N3O3 (C29 H37 Cl2 N3 O3)

Compound Name

ethyl 4-[({[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)(2-methylpropyl)amino]butanoate

IUPAC name

ethyl 4-[({[(34-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)(2-methylpropyl)amino]butanoate

SMILES

CCOC(CCCN(CC(C)C)CC(N(CCc1c[nH]c2c1cccc2)Cc(cc1)cc(Cl)c1Cl)=O)=O

InChI

InChI=1S/C29H37Cl2N3O3/c1-4-37-29(36)10-7-14-33(18-21(2)3)20-28(35)34(19-22-11-12-25(30)26(31)16-22)15-13-23-17-32-27-9-6-5-8-24(23)27/h5-6,8-9,11-12,16-17,21,32H,4,7,10,13-15,18-20H2,1-3H3

InChI Key

GGSRVBGQXWSWJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19777033

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

546.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.713

Distribution Coefficient, logD

5.609

Water Solubility, LogSw

-5.97

Polar Surface Area

49.892

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

V025-5245 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V025-5245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5245?
Check Price and Availability of V025-5245, 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 V025-5245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5245
  • 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 V025-5245 available by request