P107-0444 Screening compound: N-({4-[4-(PROPAN-2-YL)-1,3-THIAZOL-2-YL]PHENYL}METHYL)OXOLANE-2-CARBOXAMIDE

P107-0444 Screening compound: N-({4-[4-(PROPAN-2-YL)-1,3-THIAZOL-2-YL]PHENYL}METHYL)OXOLANE-2-CARBOXAMIDE
P107-0444 Screening compound: N-({4-[4-(PROPAN-2-YL)-1,3-THIAZOL-2-YL]PHENYL}METHYL)OXOLANE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P107-0444
N-({4-[4-(PROPAN-2-YL)-1,3-THIAZOL-2-YL]PHENYL}METHYL)OXOLANE-2-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

P107-0444

Molecular Formula

C18H22N2O2S (C18 H22 N2 O2 S)

Compound Name

N-({4-[4-(PROPAN-2-YL)-1,3-THIAZOL-2-YL]PHENYL}METHYL)OXOLANE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(C)c1csc(-c2ccc(CNC(C3OCCC3)=O)cc2)n1

InChI

InChI=1S/C18H22N2O2S/c1-12(2)15-11-23-18(20-15)14-7-5-13(6-8-14)10-19-17(21)16-4-3-9-22-16/h5-8,11-12,16H,3-4,9-10H2,1-2H3,(H,19,21)/t16-/m0/s1

InChI Key

GYRFWYZGJAENMY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29019654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.077

Distribution Coefficient, logD

3.077

Water Solubility, LogSw

-3.25

Polar Surface Area

42.798

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

P107-0444 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Cardiovascular Library (22201 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with P107-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P107-0444?
Check Price and Availability of P107-0444, 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 P107-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P107-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P107-0444
  • 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 P107-0444 available by request