V016-7650 Screening compound: 3-butyl-3-{2-[4-(2,5-dimethoxyphenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-1-(4-ethylphenyl)urea

V016-7650 Screening compound: 3-butyl-3-{2-[4-(2,5-dimethoxyphenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-1-(4-ethylphenyl)urea
V016-7650 Screening compound: 3-butyl-3-{2-[4-(2,5-dimethoxyphenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-1-(4-ethylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-7650
3-butyl-3-{2-[4-(2,5-dimethoxyphenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-1-(4-ethylphenyl)urea

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

V016-7650

Molecular Formula

C34H38N4O4 (C34 H38 N4 O4)

Compound Name

3-butyl-3-{2-[4-(2,5-dimethoxyphenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-1-(4-ethylphenyl)urea

IUPAC name

3-butyl-3-{2-[4-(25-dimethoxyphenyl)-4H5H-pyrrolo[12-a]quinoxalin-5-yl]-2-oxoethyl}-1-(4-ethylphenyl)urea

SMILES

CCCCN(CC(N(C1c(cc(cc2)OC)c2OC)c(cccc2)c2-n2c1ccc2)=O)C(Nc1ccc(CC)cc1)=O

InChI

InChI=1S/C34H38N4O4/c1-5-7-20-36(34(40)35-25-16-14-24(6-2)15-17-25)23-32(39)38-29-12-9-8-11-28(29)37-21-10-13-30(37)33(38)27-22-26(41-3)18-19-31(27)42-4/h8-19,21-22,33H,5-7,20,23H2,1-4H3,(H,35,40)/t33-/m1/s1

InChI Key

GKQRFSAWCXGBJY-MGBGTMOVSA-N

MDL Number (MFCD)

MFCD14239505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.223

Distribution Coefficient, logD

7.223

Water Solubility, LogSw

-5.59

Polar Surface Area

56.004

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with V016-7650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-7650?
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What is the minimum amount of V016-7650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-7650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-7650
  • 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 V016-7650 available by request