5256-1050 Screening compound: 3,3,3-trifluoro-N-{1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl}-2-(trifluoromethyl)propanamide

5256-1050 Screening compound: 3,3,3-trifluoro-N-{1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl}-2-(trifluoromethyl)propanamide
5256-1050 Screening compound: 3,3,3-trifluoro-N-{1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl}-2-(trifluoromethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5256-1050
3,3,3-trifluoro-N-{1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl}-2-(trifluoromethyl)propanamide

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

5256-1050

Molecular Formula

C10H6F12N4OS (C10 H6 F12 N4 OS)

Compound Name

3,3,3-trifluoro-N-{1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl}-2-(trifluoromethyl)propanamide

IUPAC name

333-trifluoro-N-{111333-hexafluoro-2-[(5-methyl-134-thiadiazol-2-yl)amino]propan-2-yl}-2-(trifluoromethyl)propanamide

SMILES

Cc1nnc(NC(C(F)(F)F)(C(F)(F)F)NC(C(C(F)(F)F)C(F)(F)F)=O)s1

InChI

InChI=1S/C10H6F12N4OS/c1-2-25-26-5(28-2)24-8(9(17,18)19,10(20,21)22)23-4(27)3(6(11,12)13)7(14,15)16/h3H,1H3,(H,23,27)(H,24,26)

InChI Key

VQJZFUMUZQWXOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01564845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.939

Distribution Coefficient, logD

1.354

Water Solubility, LogSw

-3.85

Polar Surface Area

57.150

Acid Dissociation Constant (pKa)

4.82

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

5256-1050 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5256-1050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5256-1050?
Check Price and Availability of 5256-1050, 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 5256-1050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5256-1050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5256-1050
  • 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 5256-1050 available by request