V021-5587 Screening compound: N-{6-[4-(3-bromobenzoyl)piperazin-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide

V021-5587 Screening compound: N-{6-[4-(3-bromobenzoyl)piperazin-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
V021-5587 Screening compound: N-{6-[4-(3-bromobenzoyl)piperazin-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-5587
N-{6-[4-(3-bromobenzoyl)piperazin-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-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

V021-5587

Molecular Formula

C24H21BrN4O4 (C24 H21 BrN4 O4)

Compound Name

N-{6-[4-(3-bromobenzoyl)piperazin-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{6-[4-(3-bromobenzoyl)piperazin-1-yl]pyridin-3-yl}-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc(cc1)cnc1N(CC1)CCN1C(c1cccc(Br)c1)=O

InChI

InChI=1S/C24H21BrN4O4/c25-18-3-1-2-17(12-18)24(31)29-10-8-28(9-11-29)22-7-5-19(14-26-22)27-23(30)16-4-6-20-21(13-16)33-15-32-20/h1-7,12-14H,8-11,15H2,(H,27,30)

InChI Key

SKQNZAHNXVFBDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19911272

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

509.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.358

Distribution Coefficient, logD

4.358

Water Solubility, LogSw

-4.28

Polar Surface Area

68.955

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with V021-5587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5587?
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What is the minimum amount of V021-5587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5587
  • 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 V021-5587 available by request