T993-1171 Screening compound: 1-(3-fluoro-4-methoxyphenyl)-3-{[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}urea

T993-1171 Screening compound: 1-(3-fluoro-4-methoxyphenyl)-3-{[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}urea
T993-1171 Screening compound: 1-(3-fluoro-4-methoxyphenyl)-3-{[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T993-1171
1-(3-fluoro-4-methoxyphenyl)-3-{[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]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

T993-1171

Molecular Formula

C20H25FN4O4 (C20 H25 FN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1C(c1c(C)oc(CNC(Nc(cc2)cc(F)c2OC)=O)n1)=O

InChI

InChI=1S/C20H25FN4O4/c1-12-6-8-25(9-7-12)19(26)18-13(2)29-17(24-18)11-22-20(27)23-14-4-5-16(28-3)15(21)10-14/h4-5,10,12H,6-9,11H2,1-3H3,(H2,22,23,27)

InChI Key

TXOVLMCKDLUGLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.890

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.35

Polar Surface Area

75.706

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

T993-1171 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with T993-1171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T993-1171?
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What is the minimum amount of T993-1171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T993-1171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T993-1171
  • 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 T993-1171 available by request