D408-0690 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

D408-0690 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
D408-0690 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D408-0690
3-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

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

D408-0690

Molecular Formula

C16H13N3O3S (C16 H13 N3 O3 S)

Compound Name

3-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

IUPAC name

3-(13-benzothiazol-2-yl)-1-(23-dihydro-14-benzodioxin-6-yl)urea

SMILES

O=C(Nc1nc(cccc2)c2s1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C16H13N3O3S/c20-15(19-16-18-11-3-1-2-4-14(11)23-16)17-10-5-6-12-13(9-10)22-8-7-21-12/h1-6,9H,7-8H2,(H2,17,18,19,20)

InChI Key

CTGCJRNGHCIAHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-3.55

Polar Surface Area

58.126

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D408-0690 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D408-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D408-0690?
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What is the minimum amount of D408-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D408-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D408-0690
  • 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 D408-0690 available by request