V021-7043 Screening compound: 2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

V021-7043 Screening compound: 2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
V021-7043 Screening compound: 2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-7043
2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-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

V021-7043

Molecular Formula

C27H28BrN3O2 (C27 H28 BrN3 O2)

Compound Name

2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

IUPAC name

2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

SMILES

Cc1c(CNC(c2ccc(C)nc2C(CC2)CCN2C(c2cccc(Br)c2)=O)=O)cccc1

InChI

InChI=1S/C27H28BrN3O2/c1-18-6-3-4-7-22(18)17-29-26(32)24-11-10-19(2)30-25(24)20-12-14-31(15-13-20)27(33)21-8-5-9-23(28)16-21/h3-11,16,20H,12-15,17H2,1-2H3,(H,29,32)

InChI Key

DDQJHSNNXHPLSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19929000

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.097

Distribution Coefficient, logD

6.095

Water Solubility, LogSw

-5.53

Polar Surface Area

50.221

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

V021-7043 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-7043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-7043?
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What is the minimum amount of V021-7043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-7043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-7043
  • 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 V021-7043 available by request