V025-7497 Screening compound: N-[(furan-2-yl)methyl]-4-({[4-(morpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide

V025-7497 Screening compound: N-[(furan-2-yl)methyl]-4-({[4-(morpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
V025-7497 Screening compound: N-[(furan-2-yl)methyl]-4-({[4-(morpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-7497
N-[(furan-2-yl)methyl]-4-({[4-(morpholin-4-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

V025-7497

Molecular Formula

C22H21F3N4O3S (C22 H21 F3 N4 O3 S)

Compound Name

N-[(furan-2-yl)methyl]-4-({[4-(morpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide

IUPAC name

N-[(furan-2-yl)methyl]-4-({[4-(morpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide

SMILES

O=C(c1ccc(CSc2nc(N3CCOCC3)cc(C(F)(F)F)n2)cc1)NCc1ccco1

InChI

InChI=1S/C22H21F3N4O3S/c23-22(24,25)18-12-19(29-7-10-31-11-8-29)28-21(27-18)33-14-15-3-5-16(6-4-15)20(30)26-13-17-2-1-9-32-17/h1-6,9,12H,7-8,10-11,13-14H2,(H,26,30)

InChI Key

BJXDUIASJYNTJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19827754

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

478.5

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

4.358

Distribution Coefficient, logD

4.358

Water Solubility, LogSw

-4.33

Polar Surface Area

60.247

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

V025-7497 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V025-7497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-7497?
Check Price and Availability of V025-7497, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V025-7497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-7497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-7497
  • 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 V025-7497 available by request