1192-0120 Screening compound: 3-phenyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(2,2,2-trifluoroacetamido)propanamide

1192-0120 Screening compound: 3-phenyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(2,2,2-trifluoroacetamido)propanamide
1192-0120 Screening compound: 3-phenyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(2,2,2-trifluoroacetamido)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1192-0120
3-phenyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(2,2,2-trifluoroacetamido)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

1192-0120

Molecular Formula

C16H17F3N4O2S (C16 H17 F3 N4 O2 S)

Compound Name

3-phenyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(2,2,2-trifluoroacetamido)propanamide

IUPAC name

3-phenyl-N-[5-(propan-2-yl)-134-thiadiazol-2-yl]-3-(222-trifluoroacetamido)propanamide

SMILES

CC(C)c1nnc(NC(CC(c2ccccc2)NC(C(F)(F)F)=O)=O)s1

InChI

InChI=1S/C16H17F3N4O2S/c1-9(2)13-22-23-15(26-13)21-12(24)8-11(10-6-4-3-5-7-10)20-14(25)16(17,18)19/h3-7,9,11H,8H2,1-2H3,(H,20,25)(H,21,23,24)/t11-/m0/s1

InChI Key

WLSOALHKVQCBFQ-NSHDSACASA-N

MDL Number (MFCD)

MFCD00994576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.345

Distribution Coefficient, logD

3.046

Water Solubility, LogSw

-3.69

Polar Surface Area

70.976

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

1192-0120 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1192-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1192-0120?
Check Price and Availability of 1192-0120, 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 1192-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1192-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1192-0120
  • 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 1192-0120 available by request