V025-5276 Screening compound: N-{4-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide

V025-5276 Screening compound: N-{4-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide
V025-5276 Screening compound: N-{4-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5276
N-{4-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}-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

V025-5276

Molecular Formula

C32H33FN4O5 (C32 H33 FN4 O5)

Compound Name

N-{4-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{4-[4-(3-fluorobenzoyl)-14-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc(cc1)cc(C(N2CCCCC2)=O)c1N(CCC1)CCN1C(c1cccc(F)c1)=O

InChI

InChI=1S/C32H33FN4O5/c33-24-7-4-6-23(18-24)31(39)37-15-5-14-35(16-17-37)27-10-9-25(20-26(27)32(40)36-12-2-1-3-13-36)34-30(38)22-8-11-28-29(19-22)42-21-41-28/h4,6-11,18-20H,1-3,5,12-17,21H2,(H,34,38)

InChI Key

SWTIFKGCHLEQFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14259064

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

572.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.400

Distribution Coefficient, logD

4.400

Water Solubility, LogSw

-4.23

Polar Surface Area

77.032

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.40

V025-5276 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 V025-5276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5276?
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What is the minimum amount of V025-5276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5276
  • 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 V025-5276 available by request