4277-0798 Screening compound: (6E)-2-cyclohexyl-5-imino-6-({3-[2-(4-methoxyphenoxy)ethoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4277-0798 Screening compound: (6E)-2-cyclohexyl-5-imino-6-({3-[2-(4-methoxyphenoxy)ethoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4277-0798 Screening compound: (6E)-2-cyclohexyl-5-imino-6-({3-[2-(4-methoxyphenoxy)ethoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4277-0798
(6E)-2-cyclohexyl-5-imino-6-({3-[2-(4-methoxyphenoxy)ethoxy]phenyl}methylidene)-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

4277-0798

Molecular Formula

C27H28N4O4S (C27 H28 N4 O4 S)

Compound Name

(6E)-2-cyclohexyl-5-imino-6-({3-[2-(4-methoxyphenoxy)ethoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-2-cyclohexyl-5-imino-6-({3-[2-(4-methoxyphenoxy)ethoxy]phenyl}methylidene)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

COc(cc1)ccc1OCCOc1cccc(/C=C(\C(N2N=C(C3CCCCC3)SC2=N2)=N)/C2=O)c1

InChI

InChI=1S/C27H28N4O4S/c1-33-20-10-12-21(13-11-20)34-14-15-35-22-9-5-6-18(16-22)17-23-24(28)31-27(29-25(23)32)36-26(30-31)19-7-3-2-4-8-19/h5-6,9-13,16-17,19,28H,2-4,7-8,14-15H2,1H3

InChI Key

CQOLJLIXTUOYPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05978447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.183

Distribution Coefficient, logD

3.415

Water Solubility, LogSw

-4.94

Polar Surface Area

77.047

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 4277-0798 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4277-0798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4277-0798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4277-0798
  • 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 4277-0798 available by request