T993-1172 Screening compound: 1-(3,5-difluorophenyl)-3-{[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}urea

T993-1172 Screening compound: 1-(3,5-difluorophenyl)-3-{[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}urea
T993-1172 Screening compound: 1-(3,5-difluorophenyl)-3-{[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T993-1172
1-(3,5-difluorophenyl)-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

T993-1172

Molecular Formula

C19H22F2N4O3 (C19 H22 F2 N4 O3)

Compound Name

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

IUPAC name

1-(35-difluorophenyl)-3-{[5-methyl-4-(4-methylpiperidine-1-carbonyl)-13-oxazol-2-yl]methyl}urea

SMILES

CC(CC1)CCN1C(c1c(C)oc(CNC(Nc2cc(F)cc(F)c2)=O)n1)=O

InChI

InChI=1S/C19H22F2N4O3/c1-11-3-5-25(6-4-11)18(26)17-12(2)28-16(24-17)10-22-19(27)23-15-8-13(20)7-14(21)9-15/h7-9,11H,3-6,10H2,1-2H3,(H2,22,23,27)

InChI Key

FSIZLYFSTMWNRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27624700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.262

Distribution Coefficient, logD

3.261

Water Solubility, LogSw

-3.42

Polar Surface Area

68.076

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

T993-1172 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T993-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T993-1172?
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What is the minimum amount of T993-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T993-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T993-1172
  • 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 T993-1172 available by request