4486-0039 Screening compound: 2-{[(2E)-4-(1,3-benzothiazol-2-ylsulfanyl)but-2-en-1-yl]sulfanyl}-1,3-benzothiazole

4486-0039 Screening compound: 2-{[(2E)-4-(1,3-benzothiazol-2-ylsulfanyl)but-2-en-1-yl]sulfanyl}-1,3-benzothiazole
4486-0039 Screening compound: 2-{[(2E)-4-(1,3-benzothiazol-2-ylsulfanyl)but-2-en-1-yl]sulfanyl}-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4486-0039
2-{[(2E)-4-(1,3-benzothiazol-2-ylsulfanyl)but-2-en-1-yl]sulfanyl}-1,3-benzothiazole

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

4486-0039

Molecular Formula

C18H14N2S4 (C18 H14 N2 S4)

Compound Name

2-{[(2E)-4-(1,3-benzothiazol-2-ylsulfanyl)but-2-en-1-yl]sulfanyl}-1,3-benzothiazole

IUPAC name

2-{[(2E)-4-(13-benzothiazol-2-ylsulfanyl)but-2-en-1-yl]sulfanyl}-13-benzothiazole

SMILES

C(/C=C/CSc1nc(cccc2)c2s1)Sc1nc(cccc2)c2s1

InChI

InChI=1S/C18H14N2S4/c1-3-9-15-13(7-1)19-17(23-15)21-11-5-6-12-22-18-20-14-8-2-4-10-16(14)24-18/h1-10H,11-12H2

InChI Key

DMWNATGGFYAIIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01575937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.745

Distribution Coefficient, logD

6.745

Water Solubility, LogSw

-6.34

Polar Surface Area

18.130

Acid Dissociation Constant (pKa)

28.08

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4486-0039 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4486-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4486-0039?
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What is the minimum amount of 4486-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4486-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4486-0039
  • 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 4486-0039 available by request