V017-6085 Screening compound: 4-butoxy-N-{2-[4-(4-fluorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-N-(propan-2-yl)benzamide

V017-6085 Screening compound: 4-butoxy-N-{2-[4-(4-fluorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-N-(propan-2-yl)benzamide
V017-6085 Screening compound: 4-butoxy-N-{2-[4-(4-fluorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-6085
4-butoxy-N-{2-[4-(4-fluorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-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

V017-6085

Molecular Formula

C33H34FN3O3 (C33 H34 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc(cc1)ccc1C(N(CC(N(C1c(cc2)ccc2F)c(cccc2)c2-n2c1ccc2)=O)C(C)C)=O

InChI

InChI=1S/C33H34FN3O3/c1-4-5-21-40-27-18-14-25(15-19-27)33(39)36(23(2)3)22-31(38)37-29-10-7-6-9-28(29)35-20-8-11-30(35)32(37)24-12-16-26(34)17-13-24/h6-20,23,32H,4-5,21-22H2,1-3H3/t32-/m1/s1

InChI Key

ADOMRVYYMPSYEW-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD14239381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.65

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

6.846

Distribution Coefficient, logD

6.846

Water Solubility, LogSw

-5.73

Polar Surface Area

39.192

Acid Dissociation Constant (pKa)

20.93

Base Dissociation Constant (pKb)

-4.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V017-6085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-6085?
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What is the minimum amount of V017-6085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-6085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-6085
  • 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 V017-6085 available by request