V010-0427 Screening compound: N-benzyl-2-{butyl[(4-nitrophenyl)carbamoyl]amino}-N-[2-(1H-indol-3-yl)ethyl]acetamide

V010-0427 Screening compound: N-benzyl-2-{butyl[(4-nitrophenyl)carbamoyl]amino}-N-[2-(1H-indol-3-yl)ethyl]acetamide
V010-0427 Screening compound: N-benzyl-2-{butyl[(4-nitrophenyl)carbamoyl]amino}-N-[2-(1H-indol-3-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0427
N-benzyl-2-{butyl[(4-nitrophenyl)carbamoyl]amino}-N-[2-(1H-indol-3-yl)ethyl]acetamide

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

V010-0427

Molecular Formula

C30H33N5O4 (C30 H33 N5 O4)

Compound Name

N-benzyl-2-{butyl[(4-nitrophenyl)carbamoyl]amino}-N-[2-(1H-indol-3-yl)ethyl]acetamide

IUPAC name

N-benzyl-2-{butyl[(4-nitrophenyl)carbamoyl]amino}-N-[2-(1H-indol-3-yl)ethyl]acetamide

SMILES

CCCCN(CC(N(CCc1c[nH]c2c1cccc2)Cc1ccccc1)=O)C(Nc(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C30H33N5O4/c1-2-3-18-34(30(37)32-25-13-15-26(16-14-25)35(38)39)22-29(36)33(21-23-9-5-4-6-10-23)19-17-24-20-31-28-12-8-7-11-27(24)28/h4-16,20,31H,2-3,17-19,21-22H2,1H3,(H,32,37)

InChI Key

AFVPYWGJMQRFGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19733213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.423

Distribution Coefficient, logD

5.423

Water Solubility, LogSw

-5.48

Polar Surface Area

84.163

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

V010-0427 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 V010-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0427?
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What is the minimum amount of V010-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0427
  • 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 V010-0427 available by request