4272-0014 Screening compound: (6Z)-2-butyl-5-imino-6-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4272-0014 Screening compound: (6Z)-2-butyl-5-imino-6-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4272-0014 Screening compound: (6Z)-2-butyl-5-imino-6-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4272-0014
(6Z)-2-butyl-5-imino-6-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}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

4272-0014

Molecular Formula

C21H20N4O2S2 (C21 H20 N4 O2 S2)

Compound Name

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

IUPAC name

(6Z)-2-butyl-5-imino-6-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCCCC(SC1=NC(/C2=C\c(o3)ccc3Sc3ccc(C)cc3)=O)=NN1C2=N

InChI

InChI=1S/C21H20N4O2S2/c1-3-4-5-17-24-25-19(22)16(20(26)23-21(25)29-17)12-14-8-11-18(27-14)28-15-9-6-13(2)7-10-15/h6-12,22H,3-5H2,1-2H3

InChI Key

BQEQMGMYNDICTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.494

Distribution Coefficient, logD

3.751

Water Solubility, LogSw

-5.23

Polar Surface Area

62.713

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

9.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 4272-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4272-0014?
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What is the minimum amount of 4272-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4272-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4272-0014
  • 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 4272-0014 available by request