4272-0163 Screening compound: (6Z)-2-benzyl-6-({4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4272-0163 Screening compound: (6Z)-2-benzyl-6-({4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4272-0163 Screening compound: (6Z)-2-benzyl-6-({4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4272-0163
(6Z)-2-benzyl-6-({4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-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

4272-0163

Molecular Formula

C27H21FN4O3S (C27 H21 FN4 O3 S)

Compound Name

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

IUPAC name

(6Z)-2-benzyl-6-({4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-5-imino-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

COc(cc(/C=C(/C(N1N=C(Cc2ccccc2)SC1=N1)=N)\C1=O)cc1)c1OCc(cc1)ccc1F

InChI

InChI=1S/C27H21FN4O3S/c1-34-23-14-19(9-12-22(23)35-16-18-7-10-20(28)11-8-18)13-21-25(29)32-27(30-26(21)33)36-24(31-32)15-17-5-3-2-4-6-17/h2-14,29H,15-16H2,1H3

InChI Key

RMGYQBHXDGMKDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.518

Distribution Coefficient, logD

3.891

Water Solubility, LogSw

-4.67

Polar Surface Area

69.596

Acid Dissociation Constant (pKa)

17.70

Base Dissociation Constant (pKb)

7.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 4272-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4272-0163?
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What is the minimum amount of 4272-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4272-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4272-0163
  • 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 4272-0163 available by request