V010-3098 Screening compound: N-CYCLOPROPYL-N-{[3-PHENYL-5-(1,4-THIAZINAN-4-YL)-4-ISOXAZOLYL]METHYL}-2-THIOPHENECARBOXAMIDE

V010-3098 Screening compound: N-CYCLOPROPYL-N-{[3-PHENYL-5-(1,4-THIAZINAN-4-YL)-4-ISOXAZOLYL]METHYL}-2-THIOPHENECARBOXAMIDE
V010-3098 Screening compound: N-CYCLOPROPYL-N-{[3-PHENYL-5-(1,4-THIAZINAN-4-YL)-4-ISOXAZOLYL]METHYL}-2-THIOPHENECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-3098
N-CYCLOPROPYL-N-{[3-PHENYL-5-(1,4-THIAZINAN-4-YL)-4-ISOXAZOLYL]METHYL}-2-THIOPHENECARBOXAMIDE

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

V010-3098

Molecular Formula

C22H23N3O2S2 (C22 H23 N3 O2 S2)

Compound Name

N-CYCLOPROPYL-N-{[3-PHENYL-5-(1,4-THIAZINAN-4-YL)-4-ISOXAZOLYL]METHYL}-2-THIOPHENECARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(c1cccs1)N(Cc1c(N2CCSCC2)onc1-c1ccccc1)C1CC1

InChI

InChI=1S/C22H23N3O2S2/c26-21(19-7-4-12-29-19)25(17-8-9-17)15-18-20(16-5-2-1-3-6-16)23-27-22(18)24-10-13-28-14-11-24/h1-7,12,17H,8-11,13-15H2

InChI Key

QUXNVKKAUFHCCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19879156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.343

Distribution Coefficient, logD

4.343

Water Solubility, LogSw

-4.28

Polar Surface Area

43.070

Acid Dissociation Constant (pKa)

23.91

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

V010-3098 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V010-3098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-3098?
Check Price and Availability of V010-3098, 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 V010-3098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-3098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-3098
  • 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 V010-3098 available by request