D336-1708 Screening compound: 4-chloro-N-(2-{[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

D336-1708 Screening compound: 4-chloro-N-(2-{[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
D336-1708 Screening compound: 4-chloro-N-(2-{[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-1708
4-chloro-N-(2-{[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

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

D336-1708

Molecular Formula

C25H20ClN3O2S2 (C25 H20 ClN3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C1)N(C(CSc2nc(ccc(NC(c(cc3)ccc3Cl)=O)c3)c3s2)=O)c2c1cccc2

InChI

InChI=1S/C25H20ClN3O2S2/c1-15-12-17-4-2-3-5-21(17)29(15)23(30)14-32-25-28-20-11-10-19(13-22(20)33-25)27-24(31)16-6-8-18(26)9-7-16/h2-11,13,15H,12,14H2,1H3,(H,27,31)/t15-/m0/s1

InChI Key

HGMIRMUHQHNYNJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14819780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.04

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

6.077

Distribution Coefficient, logD

6.071

Water Solubility, LogSw

-6.14

Polar Surface Area

46.501

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with D336-1708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-1708?
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What is the minimum amount of D336-1708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-1708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-1708
  • 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 D336-1708 available by request