T993-0279 Screening compound: 3-{[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}-1-[(4-methylphenyl)methyl]urea

T993-0279 Screening compound: 3-{[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}-1-[(4-methylphenyl)methyl]urea
T993-0279 Screening compound: 3-{[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}-1-[(4-methylphenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T993-0279
3-{[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}-1-[(4-methylphenyl)methyl]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

T993-0279

Molecular Formula

C19H24N4O3 (C19 H24 N4 O3)

Compound Name

3-{[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}-1-[(4-methylphenyl)methyl]urea

IUPAC name

3-{[5-methyl-4-(pyrrolidine-1-carbonyl)-13-oxazol-2-yl]methyl}-1-[(4-methylphenyl)methyl]urea

SMILES

Cc1c(C(N2CCCC2)=O)nc(CNC(NCc2ccc(C)cc2)=O)o1

InChI

InChI=1S/C19H24N4O3/c1-13-5-7-15(8-6-13)11-20-19(25)21-12-16-22-17(14(2)26-16)18(24)23-9-3-4-10-23/h5-8H,3-4,9-12H2,1-2H3,(H2,20,21,25)

InChI Key

PFUYAPCNRNXHGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.854

Distribution Coefficient, logD

1.854

Water Solubility, LogSw

-2.26

Polar Surface Area

69.764

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

T993-0279 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 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
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with T993-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T993-0279?
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What is the minimum amount of T993-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T993-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T993-0279
  • 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 T993-0279 available by request