D390-1418 Screening compound: N-(4-{[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)-2-ethylbutanamide

D390-1418 Screening compound: N-(4-{[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)-2-ethylbutanamide
D390-1418 Screening compound: N-(4-{[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)-2-ethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D390-1418
N-(4-{[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)-2-ethylbutanamide

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

D390-1418

Molecular Formula

C24H29N3O3S2 (C24 H29 N3 O3 S2)

Compound Name

N-(4-{[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)-2-ethylbutanamide

IUPAC name

N-(4-{[4-(13-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)-2-ethylbutanamide

SMILES

CCC(CC)C(Nc(cc1)ccc1S(N(CC1)CCC1c1nc(cccc2)c2s1)(=O)=O)=O

InChI

InChI=1S/C24H29N3O3S2/c1-3-17(4-2)23(28)25-19-9-11-20(12-10-19)32(29,30)27-15-13-18(14-16-27)24-26-21-7-5-6-8-22(21)31-24/h5-12,17-18H,3-4,13-16H2,1-2H3,(H,25,28)

InChI Key

RALSCQVLMCGEBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12915750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.057

Distribution Coefficient, logD

5.054

Water Solubility, LogSw

-4.56

Polar Surface Area

64.761

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

D390-1418 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D390-1418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D390-1418?
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What is the minimum amount of D390-1418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D390-1418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D390-1418
  • 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 D390-1418 available by request