V012-3991 Screening compound: 3-(3,4-difluorobenzamido)-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazine-2-carboxamide

V012-3991 Screening compound: 3-(3,4-difluorobenzamido)-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazine-2-carboxamide
V012-3991 Screening compound: 3-(3,4-difluorobenzamido)-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3991
3-(3,4-difluorobenzamido)-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazine-2-carboxamide

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

V012-3991

Molecular Formula

C21H23F2N5O3 (C21 H23 F2 N5 O3)

Compound Name

3-(3,4-difluorobenzamido)-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazine-2-carboxamide

IUPAC name

3-(34-difluorobenzamido)-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazine-2-carboxamide

SMILES

CC(C)C(N(CC1)CCC1NC(c1nccnc1NC(c(cc1)cc(F)c1F)=O)=O)=O

InChI

InChI=1S/C21H23F2N5O3/c1-12(2)21(31)28-9-5-14(6-10-28)26-20(30)17-18(25-8-7-24-17)27-19(29)13-3-4-15(22)16(23)11-13/h3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3,(H,26,30)(H,25,27,29)

InChI Key

HMZGBCXERLBJDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19927455

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

431.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.870

Distribution Coefficient, logD

-0.852

Water Solubility, LogSw

-2.41

Polar Surface Area

83.702

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

V012-3991 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Anti-HIV1 Library (19540 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with V012-3991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3991?
Check Price and Availability of V012-3991, 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 V012-3991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3991
  • 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 V012-3991 available by request