D336-1724 Screening compound: N-(2-{[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide

D336-1724 Screening compound: N-(2-{[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
D336-1724 Screening compound: N-(2-{[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-1724
N-(2-{[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide

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

D336-1724

Molecular Formula

C25H27N3O2S2 (C25 H27 N3 O2 S2)

Compound Name

N-(2-{[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide

IUPAC name

N-(2-{[2-(2-methyl-23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-13-benzothiazol-6-yl)cyclohexanecarboxamide

SMILES

CC(C1)N(C(CSc2nc(ccc(NC(C3CCCCC3)=O)c3)c3s2)=O)c2c1cccc2

InChI

InChI=1S/C25H27N3O2S2/c1-16-13-18-9-5-6-10-21(18)28(16)23(29)15-31-25-27-20-12-11-19(14-22(20)32-25)26-24(30)17-7-3-2-4-8-17/h5-6,9-12,14,16-17H,2-4,7-8,13,15H2,1H3,(H,26,30)/t16-/m0/s1

InChI Key

GIDIVLWZHXWRTD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14819783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.585

Distribution Coefficient, logD

5.585

Water Solubility, LogSw

-5.23

Polar Surface Area

46.694

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D336-1724 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Targeted Diversity Library (40567 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D336-1724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-1724?
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What is the minimum amount of D336-1724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-1724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-1724
  • 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 D336-1724 available by request