T409-0314 Screening compound: N-(4-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

T409-0314 Screening compound: N-(4-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
T409-0314 Screening compound: N-(4-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T409-0314
N-(4-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-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

T409-0314

Molecular Formula

C22H27FN4O2S (C22 H27 FN4 O2 S)

Compound Name

N-(4-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

IUPAC name

N-(4-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]-4567-tetrahydro-13-benzothiazole-6-carboxamide

SMILES

CC(C)C(N(CC1)CCN1c1nc(CCC(C2)C(Nc(cc3)ccc3F)=O)c2s1)=O

InChI

InChI=1S/C22H27FN4O2S/c1-14(2)21(29)26-9-11-27(12-10-26)22-25-18-8-3-15(13-19(18)30-22)20(28)24-17-6-4-16(23)5-7-17/h4-7,14-15H,3,8-13H2,1-2H3,(H,24,28)/t15-/m1/s1

InChI Key

VPKKYLJDXJKMDL-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29023792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.689

Distribution Coefficient, logD

3.581

Water Solubility, LogSw

-3.86

Polar Surface Area

54.752

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

T409-0314 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with T409-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T409-0314?
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What is the minimum amount of T409-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T409-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T409-0314
  • 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 T409-0314 available by request