7100-1397 Screening compound: 3-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino}phenol

7100-1397 Screening compound: 3-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino}phenol
7100-1397 Screening compound: 3-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7100-1397
3-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino}phenol

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

7100-1397

Molecular Formula

C14H13N3OS2 (C14 H13 N3 OS2)

Compound Name

3-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino}phenol

IUPAC name

3-{[4-(24-dimethyl-13-thiazol-5-yl)-13-thiazol-2-yl]amino}phenol

SMILES

Cc1c(-c2csc(Nc3cc(O)ccc3)n2)sc(C)n1

InChI

InChI=1S/C14H13N3OS2/c1-8-13(20-9(2)15-8)12-7-19-14(17-12)16-10-4-3-5-11(18)6-10/h3-7,18H,1-2H3,(H,16,17)

InChI Key

HKNDKKRJAWHQAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01044477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.144

Distribution Coefficient, logD

4.143

Water Solubility, LogSw

-4.09

Polar Surface Area

46.932

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

7100-1397 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human Receptors Annotated Library (5376 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 7100-1397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7100-1397?
Check Price and Availability of 7100-1397, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7100-1397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7100-1397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7100-1397
  • 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 7100-1397 available by request