4277-0934 Screening compound: (6Z)-6-({4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-2-(2-methylpropyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4277-0934 Screening compound: (6Z)-6-({4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-2-(2-methylpropyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4277-0934 Screening compound: (6Z)-6-({4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-2-(2-methylpropyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4277-0934
(6Z)-6-({4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-2-(2-methylpropyl)-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

4277-0934

Molecular Formula

C25H25ClN4O4S (C25 H25 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CC(SC1=NC(/C2=C\c(cc3)cc(OC)c3OCCOc(cccc3)c3Cl)=O)=NN1C2=N

InChI

InChI=1S/C25H25ClN4O4S/c1-15(2)12-22-29-30-23(27)17(24(31)28-25(30)35-22)13-16-8-9-20(21(14-16)32-3)34-11-10-33-19-7-5-4-6-18(19)26/h4-9,13-15,27H,10-12H2,1-3H3

InChI Key

NZWFJDNIBNHFED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.619

Distribution Coefficient, logD

3.144

Water Solubility, LogSw

-4.85

Polar Surface Area

77.290

Acid Dissociation Constant (pKa)

24.30

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 4277-0934 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4277-0934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4277-0934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4277-0934
  • 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 4277-0934 available by request