T408-2242 Screening compound: 4-{5-[4-(propan-2-yl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl}morpholine

T408-2242 Screening compound: 4-{5-[4-(propan-2-yl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl}morpholine
T408-2242 Screening compound: 4-{5-[4-(propan-2-yl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-2242
4-{5-[4-(propan-2-yl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl}morpholine

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

T408-2242

Molecular Formula

C21H31N3O3S (C21 H31 N3 O3 S)

Compound Name

4-{5-[4-(propan-2-yl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl}morpholine

IUPAC name

4-{5-[4-(propan-2-yl)piperazine-1-carbonyl]-4567-tetrahydro-1-benzothiophene-2-carbonyl}morpholine

SMILES

CC(C)N(CC1)CCN1C(C(CC1)Cc2c1sc(C(N1CCOCC1)=O)c2)=O

InChI

InChI=1S/C21H31N3O3S/c1-15(2)22-5-7-23(8-6-22)20(25)16-3-4-18-17(13-16)14-19(28-18)21(26)24-9-11-27-12-10-24/h14-16H,3-13H2,1-2H3/t16-/m1/s1

InChI Key

OMMGKKWCEKXJMC-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27643233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.055

Distribution Coefficient, logD

1.354

Water Solubility, LogSw

-2.33

Polar Surface Area

46.247

Acid Dissociation Constant (pKa)

21.06

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

T408-2242 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T408-2242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-2242?
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What is the minimum amount of T408-2242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-2242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-2242
  • 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 T408-2242 available by request