3797-0346 Screening compound: (6Z)-6-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}-2-heptyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3797-0346 Screening compound: (6Z)-6-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}-2-heptyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3797-0346 Screening compound: (6Z)-6-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}-2-heptyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3797-0346
(6Z)-6-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}-2-heptyl-5-imino-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

3797-0346

Molecular Formula

C23H22ClFN4O2S (C23 H22 ClFN4 O2 S)

Compound Name

(6Z)-6-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}-2-heptyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-6-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}-2-heptyl-5-imino-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCCCCCCC(SC1=NC(/C2=C\c3ccc(-c(cc4)cc(Cl)c4F)o3)=O)=NN1C2=N

InChI

InChI=1S/C23H22ClFN4O2S/c1-2-3-4-5-6-7-20-28-29-21(26)16(22(30)27-23(29)32-20)13-15-9-11-19(31-15)14-8-10-18(25)17(24)12-14/h8-13,26H,2-7H2,1H3

InChI Key

IAIQNDKHDZWCCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02118243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.472

Distribution Coefficient, logD

4.729

Water Solubility, LogSw

-6.28

Polar Surface Area

62.492

Acid Dissociation Constant (pKa)

23.97

Base Dissociation Constant (pKb)

9.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 3797-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3797-0346?
Check Price and Availability of 3797-0346, 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 3797-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3797-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3797-0346
  • 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 3797-0346 available by request