V014-1097 Screening compound: 3-{2-[4-(3-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-1-(2,4-dimethylphenyl)-3-(propan-2-yl)urea

V014-1097 Screening compound: 3-{2-[4-(3-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-1-(2,4-dimethylphenyl)-3-(propan-2-yl)urea
V014-1097 Screening compound: 3-{2-[4-(3-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-1-(2,4-dimethylphenyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-1097
3-{2-[4-(3-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-1-(2,4-dimethylphenyl)-3-(propan-2-yl)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

V014-1097

Molecular Formula

C31H31ClN4O2 (C31 H31 ClN4 O2)

Compound Name

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

IUPAC name

3-{2-[4-(3-chlorophenyl)-4H5H-pyrrolo[12-a]quinoxalin-5-yl]-2-oxoethyl}-1-(24-dimethylphenyl)-3-(propan-2-yl)urea

SMILES

CC(C)N(CC(N(C1c2cccc(Cl)c2)c(cccc2)c2-n2c1ccc2)=O)C(Nc1c(C)cc(C)cc1)=O

InChI

InChI=1S/C31H31ClN4O2/c1-20(2)35(31(38)33-25-15-14-21(3)17-22(25)4)19-29(37)36-27-12-6-5-11-26(27)34-16-8-13-28(34)30(36)23-9-7-10-24(32)18-23/h5-18,20,30H,19H2,1-4H3,(H,33,38)/t30-/m1/s1

InChI Key

BMGZUSUUWHEKGU-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD14240097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.07

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.070

Distribution Coefficient, logD

7.070

Water Solubility, LogSw

-6.21

Polar Surface Area

39.898

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.60

V014-1097 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V014-1097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-1097?
Check Price and Availability of V014-1097, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V014-1097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-1097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-1097
  • 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 V014-1097 available by request