V029-1558 Screening compound: 5-[2-(4-chlorophenoxy)acetamido]-1-ethyl-N-[(2-methyloxolan-2-yl)methyl]-1H-indole-2-carboxamide

V029-1558 Screening compound: 5-[2-(4-chlorophenoxy)acetamido]-1-ethyl-N-[(2-methyloxolan-2-yl)methyl]-1H-indole-2-carboxamide
V029-1558 Screening compound: 5-[2-(4-chlorophenoxy)acetamido]-1-ethyl-N-[(2-methyloxolan-2-yl)methyl]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-1558
5-[2-(4-chlorophenoxy)acetamido]-1-ethyl-N-[(2-methyloxolan-2-yl)methyl]-1H-indole-2-carboxamide

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

V029-1558

Molecular Formula

C25H28ClN3O4 (C25 H28 ClN3 O4)

Compound Name

5-[2-(4-chlorophenoxy)acetamido]-1-ethyl-N-[(2-methyloxolan-2-yl)methyl]-1H-indole-2-carboxamide

IUPAC name

5-[2-(4-chlorophenoxy)acetamido]-1-ethyl-N-[(2-methyloxolan-2-yl)methyl]-1H-indole-2-carboxamide

SMILES

CCn(c(C(NCC1(C)OCCC1)=O)c1)c(cc2)c1cc2NC(COc(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H28ClN3O4/c1-3-29-21-10-7-19(28-23(30)15-32-20-8-5-18(26)6-9-20)13-17(21)14-22(29)24(31)27-16-25(2)11-4-12-33-25/h5-10,13-14H,3-4,11-12,15-16H2,1-2H3,(H,27,31)(H,28,30)/t25-/m1/s1

InChI Key

LHSRHAAQVNNGSU-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19785378

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

469.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.768

Distribution Coefficient, logD

4.768

Water Solubility, LogSw

-4.62

Polar Surface Area

63.431

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

V029-1558 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Indole Derivatives (10091 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V029-1558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-1558?
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What is the minimum amount of V029-1558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-1558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-1558
  • 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 V029-1558 available by request