V004-1149 Screening compound: N~1~-butyl-4-(4-{[2-(4-methoxyphenyl)acetyl]amino}phenyl)tetrahydro-1(2H)-pyrazinecarboxamide

V004-1149 Screening compound: N~1~-butyl-4-(4-{[2-(4-methoxyphenyl)acetyl]amino}phenyl)tetrahydro-1(2H)-pyrazinecarboxamide
V004-1149 Screening compound: N~1~-butyl-4-(4-{[2-(4-methoxyphenyl)acetyl]amino}phenyl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1149
N~1~-butyl-4-(4-{[2-(4-methoxyphenyl)acetyl]amino}phenyl)tetrahydro-1(2H)-pyrazinecarboxamide

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

V004-1149

Molecular Formula

C24H32N4O3 (C24 H32 N4 O3)

Compound Name

N~1~-butyl-4-(4-{[2-(4-methoxyphenyl)acetyl]amino}phenyl)tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

N-butyl-4-{4-[2-(4-methoxyphenyl)acetamido]phenyl}piperazine-1-carboxamide

SMILES

CCCCNC(N(CC1)CCN1c(cc1)ccc1NC(Cc(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C24H32N4O3/c1-3-4-13-25-24(30)28-16-14-27(15-17-28)21-9-7-20(8-10-21)26-23(29)18-19-5-11-22(31-2)12-6-19/h5-12H,3-4,13-18H2,1-2H3,(H,25,30)(H,26,29)

InChI Key

OHPGXORGFXBPNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19730445

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

424.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.844

Distribution Coefficient, logD

3.822

Water Solubility, LogSw

-3.97

Polar Surface Area

60.825

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

V004-1149 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V004-1149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1149?
Check Price and Availability of V004-1149, 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 V004-1149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1149
  • 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 V004-1149 available by request