V006-9961 Screening compound: N-{2-[1-(4-methylphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-4-nitro-N-propylbenzamide

V006-9961 Screening compound: N-{2-[1-(4-methylphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-4-nitro-N-propylbenzamide
V006-9961 Screening compound: N-{2-[1-(4-methylphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-4-nitro-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-9961
N-{2-[1-(4-methylphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-4-nitro-N-propylbenzamide

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

V006-9961

Molecular Formula

C26H28N4O4 (C26 H28 N4 O4)

Compound Name

N-{2-[1-(4-methylphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-4-nitro-N-propylbenzamide

IUPAC name

N-{2-[1-(4-methylphenyl)-1H2H3H4H-pyrrolo[12-a]pyrazin-2-yl]-2-oxoethyl}-4-nitro-N-propylbenzamide

SMILES

CCCN(CC(N(CCn1c2ccc1)C2c1ccc(C)cc1)=O)C(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C26H28N4O4/c1-3-14-28(26(32)21-10-12-22(13-11-21)30(33)34)18-24(31)29-17-16-27-15-4-5-23(27)25(29)20-8-6-19(2)7-9-20/h4-13,15,25H,3,14,16-18H2,1-2H3/t25-/m1/s1

InChI Key

MVKLMNMRKPMOJE-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14431307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.286

Distribution Coefficient, logD

4.286

Water Solubility, LogSw

-4.13

Polar Surface Area

67.676

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V006-9961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-9961?
Check Price and Availability of V006-9961, 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 V006-9961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-9961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-9961
  • 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 V006-9961 available by request