3948-0662 Screening compound: (6Z)-5-imino-6-{[3-methoxy-4-(1-phenylethoxy)phenyl]methylidene}-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3948-0662 Screening compound: (6Z)-5-imino-6-{[3-methoxy-4-(1-phenylethoxy)phenyl]methylidene}-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3948-0662 Screening compound: (6Z)-5-imino-6-{[3-methoxy-4-(1-phenylethoxy)phenyl]methylidene}-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3948-0662
(6Z)-5-imino-6-{[3-methoxy-4-(1-phenylethoxy)phenyl]methylidene}-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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

3948-0662

Molecular Formula

C22H17F3N4O3S (C22 H17 F3 N4 O3 S)

Compound Name

(6Z)-5-imino-6-{[3-methoxy-4-(1-phenylethoxy)phenyl]methylidene}-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-5-imino-6-{[3-methoxy-4-(1-phenylethoxy)phenyl]methylidene}-2-(trifluoromethyl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CC(c1ccccc1)Oc(ccc(/C=C(/C(N1N=C(C(F)(F)F)SC1=N1)=N)\C1=O)c1)c1OC

InChI

InChI=1S/C22H17F3N4O3S/c1-12(14-6-4-3-5-7-14)32-16-9-8-13(11-17(16)31-2)10-15-18(26)29-21(27-19(15)30)33-20(28-29)22(23,24)25/h3-12,26H,1-2H3/t12-/m0/s1

InChI Key

ZUIQVQWIEXQRDW-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14709362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.090

Distribution Coefficient, logD

2.902

Water Solubility, LogSw

-4.30

Polar Surface Area

69.253

Acid Dissociation Constant (pKa)

27.04

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 3948-0662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3948-0662?
Check Price and Availability of 3948-0662, 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 3948-0662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3948-0662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3948-0662
  • 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 3948-0662 available by request