C246-0351 Screening compound: 4-{[3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-2,6-dimethylmorpholine

C246-0351 Screening compound: 4-{[3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-2,6-dimethylmorpholine
C246-0351 Screening compound: 4-{[3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-2,6-dimethylmorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound C246-0351
4-{[3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-2,6-dimethylmorpholine

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

C246-0351

Molecular Formula

C17H19BrN4OS (C17 H19 BrN4 OS)

Compound Name

4-{[3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-2,6-dimethylmorpholine

IUPAC name

4-{[3-(4-bromophenyl)-[124]triazolo[34-b][13]thiazol-6-yl]methyl}-26-dimethylmorpholine

SMILES

CC1OC(C)CN(Cc(s2)cn3c2nnc3-c(cc2)ccc2Br)C1

InChI

InChI=1S/C17H19BrN4OS/c1-11-7-21(8-12(2)23-11)9-15-10-22-16(19-20-17(22)24-15)13-3-5-14(18)6-4-13/h3-6,10-12H,7-9H2,1-2H3

InChI Key

YOKVGVGIMYWKOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04414811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.154

Distribution Coefficient, logD

3.046

Water Solubility, LogSw

-3.00

Polar Surface Area

33.360

Acid Dissociation Constant (pKa)

26.17

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

C246-0351 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C246-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C246-0351?
Check Price and Availability of C246-0351, 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 C246-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C246-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C246-0351
  • 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 C246-0351 available by request