V013-2454 Screening compound: N-{6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyridin-3-yl}-2-fluorobenzamide

V013-2454 Screening compound: N-{6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyridin-3-yl}-2-fluorobenzamide
V013-2454 Screening compound: N-{6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyridin-3-yl}-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-2454
N-{6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyridin-3-yl}-2-fluorobenzamide

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

V013-2454

Molecular Formula

C22H27FN4O2 (C22 H27 FN4 O2)

Compound Name

N-{6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyridin-3-yl}-2-fluorobenzamide

IUPAC name

N-{6-[4-(33-dimethylbutanoyl)piperazin-1-yl]pyridin-3-yl}-2-fluorobenzamide

SMILES

CC(C)(C)CC(N(CC1)CCN1c(cc1)ncc1NC(c(cccc1)c1F)=O)=O

InChI

InChI=1S/C22H27FN4O2/c1-22(2,3)14-20(28)27-12-10-26(11-13-27)19-9-8-16(15-24-19)25-21(29)17-6-4-5-7-18(17)23/h4-9,15H,10-14H2,1-3H3,(H,25,29)

InChI Key

GKNYGWDTZHGOHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19898637

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.130

Distribution Coefficient, logD

4.128

Water Solubility, LogSw

-4.19

Polar Surface Area

51.583

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

V013-2454 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V013-2454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-2454?
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What is the minimum amount of V013-2454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-2454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-2454
  • 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 V013-2454 available by request