V006-1487 Screening compound: ethyl 2-[5-(2-ethylbutanamido)-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-1H-indol-1-yl]acetate

V006-1487 Screening compound: ethyl 2-[5-(2-ethylbutanamido)-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-1H-indol-1-yl]acetate
V006-1487 Screening compound: ethyl 2-[5-(2-ethylbutanamido)-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-1H-indol-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-1487
ethyl 2-[5-(2-ethylbutanamido)-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-1H-indol-1-yl]acetate

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

V006-1487

Molecular Formula

C29H33N3O5 (C29 H33 N3 O5)

Compound Name

ethyl 2-[5-(2-ethylbutanamido)-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-1H-indol-1-yl]acetate

IUPAC name

ethyl 2-[5-(2-ethylbutanamido)-3-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)acetyl]-1H-indol-1-yl]acetate

SMILES

CCC(CC)C(Nc(cc1)cc2c1n(CC(OCC)=O)cc2C(C(N(CC1)Cc2c1cccc2)=O)=O)=O

InChI

InChI=1S/C29H33N3O5/c1-4-19(5-2)28(35)30-22-11-12-25-23(15-22)24(17-32(25)18-26(33)37-6-3)27(34)29(36)31-14-13-20-9-7-8-10-21(20)16-31/h7-12,15,17,19H,4-6,13-14,16,18H2,1-3H3,(H,30,35)

InChI Key

OJSHZUOEHPZELU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19946638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.304

Distribution Coefficient, logD

4.304

Water Solubility, LogSw

-3.97

Polar Surface Area

75.812

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

V006-1487 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
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 V006-1487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-1487?
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What is the minimum amount of V006-1487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-1487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-1487
  • 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 V006-1487 available by request