V016-7659 Screening compound: N-butyl-N-{2-[4-(3-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-2-phenoxyacetamide

V016-7659 Screening compound: N-butyl-N-{2-[4-(3-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-2-phenoxyacetamide
V016-7659 Screening compound: N-butyl-N-{2-[4-(3-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-7659
N-butyl-N-{2-[4-(3-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-2-phenoxyacetamide

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

V016-7659

Molecular Formula

C31H30ClN3O3 (C31 H30 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(CC(N(C1c2cccc(Cl)c2)c(cccc2)c2-n2c1ccc2)=O)C(COc1ccccc1)=O

InChI

InChI=1S/C31H30ClN3O3/c1-2-3-18-33(30(37)22-38-25-13-5-4-6-14-25)21-29(36)35-27-16-8-7-15-26(27)34-19-10-17-28(34)31(35)23-11-9-12-24(32)20-23/h4-17,19-20,31H,2-3,18,21-22H2,1H3/t31-/m1/s1

InChI Key

LVEROUYCNICGPE-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD14239422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.05

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.174

Distribution Coefficient, logD

6.174

Water Solubility, LogSw

-5.98

Polar Surface Area

38.981

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.60

References: we are preparing a list of scientific research reports with V016-7659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-7659?
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What is the minimum amount of V016-7659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-7659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-7659
  • 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 V016-7659 available by request