V017-6120 Screening compound: N-{2-[4-(3-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-N-cyclopropyl-3,5,5-trimethylhexanamide

V017-6120 Screening compound: N-{2-[4-(3-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-N-cyclopropyl-3,5,5-trimethylhexanamide
V017-6120 Screening compound: N-{2-[4-(3-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-N-cyclopropyl-3,5,5-trimethylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-6120
N-{2-[4-(3-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-N-cyclopropyl-3,5,5-trimethylhexanamide

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

V017-6120

Molecular Formula

C31H36ClN3O2 (C31 H36 ClN3 O2)

Compound Name

N-{2-[4-(3-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-N-cyclopropyl-3,5,5-trimethylhexanamide

IUPAC name

N-{2-[4-(3-chlorophenyl)-4H5H-pyrrolo[12-a]quinoxalin-5-yl]-2-oxoethyl}-N-cyclopropyl-355-trimethylhexanamide

SMILES

CC(CC(C)(C)C)CC(N(CC(N(C1c2cccc(Cl)c2)c(cccc2)c2-n2c1ccc2)=O)C1CC1)=O

InChI

InChI=1S/C31H36ClN3O2/c1-21(19-31(2,3)4)17-28(36)34(24-14-15-24)20-29(37)35-26-12-6-5-11-25(26)33-16-8-13-27(33)30(35)22-9-7-10-23(32)18-22/h5-13,16,18,21,24,30H,14-15,17,19-20H2,1-4H3

InChI Key

YQYZEZITYCAQSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14239435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.1

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.153

Distribution Coefficient, logD

7.153

Water Solubility, LogSw

-6.24

Polar Surface Area

31.079

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.94

V017-6120 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-6120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-6120?
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What is the minimum amount of V017-6120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-6120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-6120
  • 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 V017-6120 available by request