V018-3090 Screening compound: N-butyl-N-{2-[4-(4-methylphenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-2,2-diphenylacetamide

V018-3090 Screening compound: N-butyl-N-{2-[4-(4-methylphenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-2,2-diphenylacetamide
V018-3090 Screening compound: N-butyl-N-{2-[4-(4-methylphenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-2,2-diphenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3090
N-butyl-N-{2-[4-(4-methylphenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-2,2-diphenylacetamide

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

V018-3090

Molecular Formula

C38H37N3O2 (C38 H37 N3 O2)

Compound Name

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

IUPAC name

N-butyl-N-{2-[4-(4-methylphenyl)-4H5H-pyrrolo[12-a]quinoxalin-5-yl]-2-oxoethyl}-22-diphenylacetamide

SMILES

CCCCN(CC(N(C1c2ccc(C)cc2)c(cccc2)c2-n2c1ccc2)=O)C(C(c1ccccc1)c1ccccc1)=O

InChI

InChI=1S/C38H37N3O2/c1-3-4-25-39(38(43)36(29-14-7-5-8-15-29)30-16-9-6-10-17-30)27-35(42)41-33-19-12-11-18-32(33)40-26-13-20-34(40)37(41)31-23-21-28(2)22-24-31/h5-24,26,36-37H,3-4,25,27H2,1-2H3/t37-/m1/s1

InChI Key

HBUISAIIESWQOH-DIPNUNPCSA-N

MDL Number (MFCD)

MFCD14239356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.73

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.995

Distribution Coefficient, logD

7.995

Water Solubility, LogSw

-5.75

Polar Surface Area

31.738

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

V018-3090 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V018-3090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3090?
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What is the minimum amount of V018-3090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3090
  • 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 V018-3090 available by request