V025-5514 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(pyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide

V025-5514 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(pyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
V025-5514 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(pyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5514
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(pyrrolidin-1-yl)-6-(trifluoromethyl)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

V025-5514

Molecular Formula

C25H23F3N4O3S (C25 H23 F3 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CSc2nc(N3CCCC3)cc(C(F)(F)F)n2)cc1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C25H23F3N4O3S/c26-25(27,28)21-12-22(32-9-1-2-10-32)31-24(30-21)36-14-16-3-6-18(7-4-16)23(33)29-13-17-5-8-19-20(11-17)35-15-34-19/h3-8,11-12H,1-2,9-10,13-15H2,(H,29,33)

InChI Key

NXLOVXCAPSKSHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19824309

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.244

Distribution Coefficient, logD

5.244

Water Solubility, LogSw

-5.49

Polar Surface Area

62.071

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with V025-5514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5514?
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What is the minimum amount of V025-5514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5514
  • 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 V025-5514 available by request