D336-2826 Screening compound: N-[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-ethoxybenzamide

D336-2826 Screening compound: N-[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-ethoxybenzamide
D336-2826 Screening compound: N-[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-2826
N-[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-ethoxybenzamide

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

D336-2826

Molecular Formula

C26H25N3O3S2 (C26 H25 N3 O3 S2)

Compound Name

N-[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-ethoxybenzamide

IUPAC name

N-[2-({[(34-dimethylphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]-4-ethoxybenzamide

SMILES

CCOc(cc1)ccc1C(Nc(cc1)cc2c1nc(SCC(Nc1cc(C)c(C)cc1)=O)s2)=O

InChI

InChI=1S/C26H25N3O3S2/c1-4-32-21-10-6-18(7-11-21)25(31)28-20-9-12-22-23(14-20)34-26(29-22)33-15-24(30)27-19-8-5-16(2)17(3)13-19/h5-14H,4,15H2,1-3H3,(H,27,30)(H,28,31)

InChI Key

AMDWFQQQSOWNQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.496

Distribution Coefficient, logD

6.496

Water Solubility, LogSw

-5.55

Polar Surface Area

62.413

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

D336-2826 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D336-2826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-2826?
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What is the minimum amount of D336-2826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-2826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-2826
  • 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 D336-2826 available by request