V008-1776 Screening compound: ethyl 2-(5-[(4-methoxybenzoyl)amino]-3-{2-[4-(4-methoxyphenyl)piperazino]-2-oxoacetyl}-1H-indol-1-yl)acetate

V008-1776 Screening compound: ethyl 2-(5-[(4-methoxybenzoyl)amino]-3-{2-[4-(4-methoxyphenyl)piperazino]-2-oxoacetyl}-1H-indol-1-yl)acetate
V008-1776 Screening compound: ethyl 2-(5-[(4-methoxybenzoyl)amino]-3-{2-[4-(4-methoxyphenyl)piperazino]-2-oxoacetyl}-1H-indol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-1776
ethyl 2-(5-[(4-methoxybenzoyl)amino]-3-{2-[4-(4-methoxyphenyl)piperazino]-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

V008-1776

Molecular Formula

C33H34N4O7 (C33 H34 N4 O7)

Compound Name

ethyl 2-(5-[(4-methoxybenzoyl)amino]-3-{2-[4-(4-methoxyphenyl)piperazino]-2-oxoacetyl}-1H-indol-1-yl)acetate

IUPAC name

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

SMILES

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

InChI

InChI=1S/C33H34N4O7/c1-4-44-30(38)21-37-20-28(27-19-23(7-14-29(27)37)34-32(40)22-5-10-25(42-2)11-6-22)31(39)33(41)36-17-15-35(16-18-36)24-8-12-26(43-3)13-9-24/h5-14,19-20H,4,15-18,21H2,1-3H3,(H,34,40)

InChI Key

IDIYTJFCYADOCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19944890

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

598.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.168

Distribution Coefficient, logD

4.168

Water Solubility, LogSw

-4.03

Polar Surface Area

94.227

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

V008-1776 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V008-1776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-1776?
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What is the minimum amount of V008-1776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-1776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-1776
  • 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 V008-1776 available by request