T409-0540 Screening compound: 1-{4-[6-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl}propan-1-one

T409-0540 Screening compound: 1-{4-[6-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl}propan-1-one
T409-0540 Screening compound: 1-{4-[6-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T409-0540
1-{4-[6-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl}propan-1-one

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

T409-0540

Molecular Formula

C21H32N4O2S (C21 H32 N4 O2 S)

Compound Name

1-{4-[6-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl}propan-1-one

IUPAC name

1-{4-[6-(azepane-1-carbonyl)-4567-tetrahydro-13-benzothiazol-2-yl]piperazin-1-yl}propan-1-one

SMILES

CCC(N(CC1)CCN1c1nc(CCC(C2)C(N3CCCCCC3)=O)c2s1)=O

InChI

InChI=1S/C21H32N4O2S/c1-2-19(26)23-11-13-25(14-12-23)21-22-17-8-7-16(15-18(17)28-21)20(27)24-9-5-3-4-6-10-24/h16H,2-15H2,1H3/t16-/m1/s1

InChI Key

JXINOQSPCBNUDJ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29024145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.265

Distribution Coefficient, logD

3.159

Water Solubility, LogSw

-3.03

Polar Surface Area

48.112

Acid Dissociation Constant (pKa)

21.61

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.20

T409-0540 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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 T409-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T409-0540?
Check Price and Availability of T409-0540, 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 T409-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T409-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T409-0540
  • 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 T409-0540 available by request