V006-8478 Screening compound: ethyl 2-[5-(3,3-dimethylbutanamido)-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl}-1H-indol-1-yl]acetate

V006-8478 Screening compound: ethyl 2-[5-(3,3-dimethylbutanamido)-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl}-1H-indol-1-yl]acetate
V006-8478 Screening compound: ethyl 2-[5-(3,3-dimethylbutanamido)-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl}-1H-indol-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8478
ethyl 2-[5-(3,3-dimethylbutanamido)-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl}-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

V006-8478

Molecular Formula

C31H38N4O6 (C31 H38 N4 O6)

Compound Name

ethyl 2-[5-(3,3-dimethylbutanamido)-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl}-1H-indol-1-yl]acetate

IUPAC name

ethyl 2-[5-(33-dimethylbutanamido)-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl}-1H-indol-1-yl]acetate

SMILES

CCOC(Cn1c(ccc(NC(CC(C)(C)C)=O)c2)c2c(C(C(N(CC2)CCN2c(cc2)ccc2OC)=O)=O)c1)=O

InChI

InChI=1S/C31H38N4O6/c1-6-41-28(37)20-35-19-25(24-17-21(7-12-26(24)35)32-27(36)18-31(2,3)4)29(38)30(39)34-15-13-33(14-16-34)22-8-10-23(40-5)11-9-22/h7-12,17,19H,6,13-16,18,20H2,1-5H3,(H,32,36)

InChI Key

RCYYXPJAKNVAPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19946620

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

562.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.418

Distribution Coefficient, logD

4.418

Water Solubility, LogSw

-4.17

Polar Surface Area

86.741

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

V006-8478 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Indole Derivatives (10091 compounds)

Anti-HIV1 Library (19540 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V006-8478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8478?
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What is the minimum amount of V006-8478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8478
  • 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 V006-8478 available by request