V025-5268 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide

V025-5268 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
V025-5268 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5268
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide

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

V025-5268

Molecular Formula

C32H32FN5O3S (C32 H32 FN5 O3 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide

SMILES

CCc1nc(SCc(cc2)ccc2C(NCc(cc2)cc3c2OCO3)=O)nc(N(CC2)CCN2c(cccc2)c2F)c1

InChI

InChI=1S/C32H32FN5O3S/c1-2-25-18-30(38-15-13-37(14-16-38)27-6-4-3-5-26(27)33)36-32(35-25)42-20-22-7-10-24(11-8-22)31(39)34-19-23-9-12-28-29(17-23)41-21-40-28/h3-12,17-18H,2,13-16,19-21H2,1H3,(H,34,39)

InChI Key

DELYIJJVPZQMDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19817740

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

585.7

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.359

Distribution Coefficient, logD

6.359

Water Solubility, LogSw

-5.58

Polar Surface Area

65.160

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

V025-5268 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V025-5268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5268?
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What is the minimum amount of V025-5268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5268
  • 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 V025-5268 available by request