V018-1499 Screening compound: (E)-N-butyl-N-{2-[4-(4-methylphenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-3-(4-nitrophenyl)-2-propenamide

V018-1499 Screening compound: (E)-N-butyl-N-{2-[4-(4-methylphenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-3-(4-nitrophenyl)-2-propenamide
V018-1499 Screening compound: (E)-N-butyl-N-{2-[4-(4-methylphenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-3-(4-nitrophenyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1499
(E)-N-butyl-N-{2-[4-(4-methylphenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-3-(4-nitrophenyl)-2-propenamide

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

V018-1499

Molecular Formula

C33H32N4O4 (C33 H32 N4 O4)

Compound Name

(E)-N-butyl-N-{2-[4-(4-methylphenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-3-(4-nitrophenyl)-2-propenamide

IUPAC name

(2E)-N-butyl-N-{2-[4-(4-methylphenyl)-4H5H-pyrrolo[12-a]quinoxalin-5-yl]-2-oxoethyl}-3-(4-nitrophenyl)prop-2-enamide

SMILES

CCCCN(CC(N(C1c2ccc(C)cc2)c(cccc2)c2-n2c1ccc2)=O)C(/C=C/c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C33H32N4O4/c1-3-4-21-34(31(38)20-15-25-13-18-27(19-14-25)37(40)41)23-32(39)36-29-9-6-5-8-28(29)35-22-7-10-30(35)33(36)26-16-11-24(2)12-17-26/h5-20,22,33H,3-4,21,23H2,1-2H3/t33-/m1/s1

InChI Key

OQMUDUYSRTVCAD-MGBGTMOVSA-N

MDL Number (MFCD)

MFCD14240071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.787

Distribution Coefficient, logD

6.787

Water Solubility, LogSw

-5.67

Polar Surface Area

64.864

Acid Dissociation Constant (pKa)

21.05

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.21

References: we are preparing a list of scientific research reports with V018-1499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1499?
Check Price and Availability of V018-1499, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V018-1499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1499
  • 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 V018-1499 available by request