V014-1142 Screening compound: N-{2-[4-(3-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-4-nitro-N-(propan-2-yl)benzamide

V014-1142 Screening compound: N-{2-[4-(3-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-4-nitro-N-(propan-2-yl)benzamide
V014-1142 Screening compound: N-{2-[4-(3-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-4-nitro-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-1142
N-{2-[4-(3-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-4-nitro-N-(propan-2-yl)benzamide

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

V014-1142

Molecular Formula

C29H25ClN4O4 (C29 H25 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(CC(N(C1c2cccc(Cl)c2)c(cccc2)c2-n2c1ccc2)=O)C(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C29H25ClN4O4/c1-19(2)32(29(36)20-12-14-23(15-13-20)34(37)38)18-27(35)33-25-10-4-3-9-24(25)31-16-6-11-26(31)28(33)21-7-5-8-22(30)17-21/h3-17,19,28H,18H2,1-2H3/t28-/m1/s1

InChI Key

JQHZDYIAOTUZHI-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD14239417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.914

Distribution Coefficient, logD

5.914

Water Solubility, LogSw

-6.15

Polar Surface Area

65.156

Acid Dissociation Constant (pKa)

20.93

Base Dissociation Constant (pKb)

-4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

References: we are preparing a list of scientific research reports with V014-1142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-1142?
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What is the minimum amount of V014-1142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-1142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-1142
  • 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 V014-1142 available by request