T993-1166 Screening compound: 3-{[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}-1-[4-(methylsulfanyl)phenyl]urea

T993-1166 Screening compound: 3-{[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}-1-[4-(methylsulfanyl)phenyl]urea
T993-1166 Screening compound: 3-{[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}-1-[4-(methylsulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T993-1166
3-{[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}-1-[4-(methylsulfanyl)phenyl]urea

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

T993-1166

Molecular Formula

C20H26N4O3S (C20 H26 N4 O3 S)

Compound Name

3-{[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}-1-[4-(methylsulfanyl)phenyl]urea

IUPAC name

3-{[5-methyl-4-(4-methylpiperidine-1-carbonyl)-13-oxazol-2-yl]methyl}-1-[4-(methylsulfanyl)phenyl]urea

SMILES

CC(CC1)CCN1C(c1c(C)oc(CNC(Nc(cc2)ccc2SC)=O)n1)=O

InChI

InChI=1S/C20H26N4O3S/c1-13-8-10-24(11-9-13)19(25)18-14(2)27-17(23-18)12-21-20(26)22-15-4-6-16(28-3)7-5-15/h4-7,13H,8-12H2,1-3H3,(H2,21,22,26)

InChI Key

JMWJKNPTPYOSGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.519

Distribution Coefficient, logD

3.519

Water Solubility, LogSw

-3.75

Polar Surface Area

68.076

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

T993-1166 in Drug Discovery

Included in Screening Libraries

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

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Anti-HIV1 Library (19540 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T993-1166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T993-1166?
Check Price and Availability of T993-1166, 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 T993-1166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T993-1166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T993-1166
  • 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 T993-1166 available by request