V014-1105 Screening compound: N-butyl-4-chloro-N-{2-[4-(furan-2-yl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-3-nitrobenzamide

V014-1105 Screening compound: N-butyl-4-chloro-N-{2-[4-(furan-2-yl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-3-nitrobenzamide
V014-1105 Screening compound: N-butyl-4-chloro-N-{2-[4-(furan-2-yl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-1105
N-butyl-4-chloro-N-{2-[4-(furan-2-yl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-3-nitrobenzamide

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

V014-1105

Molecular Formula

C28H25ClN4O5 (C28 H25 ClN4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(CC(N(C1c2ccco2)c(cccc2)c2-n2c1ccc2)=O)C(c(cc1)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C28H25ClN4O5/c1-2-3-14-30(28(35)19-12-13-20(29)24(17-19)33(36)37)18-26(34)32-22-9-5-4-8-21(22)31-15-6-10-23(31)27(32)25-11-7-16-38-25/h4-13,15-17,27H,2-3,14,18H2,1H3/t27-/m0/s1

InChI Key

XOQHPXKMZUPCPM-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14240064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.062

Distribution Coefficient, logD

5.062

Water Solubility, LogSw

-5.44

Polar Surface Area

73.668

Acid Dissociation Constant (pKa)

20.86

Base Dissociation Constant (pKb)

-4.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with V014-1105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-1105?
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What is the minimum amount of V014-1105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-1105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-1105
  • 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 V014-1105 available by request