4277-0029 Screening compound: (6Z)-5-imino-2-(2-methylpropyl)-6-[(naphthalen-1-yl)methylidene]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4277-0029 Screening compound: (6Z)-5-imino-2-(2-methylpropyl)-6-[(naphthalen-1-yl)methylidene]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4277-0029 Screening compound: (6Z)-5-imino-2-(2-methylpropyl)-6-[(naphthalen-1-yl)methylidene]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4277-0029
(6Z)-5-imino-2-(2-methylpropyl)-6-[(naphthalen-1-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

4277-0029

Molecular Formula

C20H18N4OS (C20 H18 N4 OS)

Compound Name

(6Z)-5-imino-2-(2-methylpropyl)-6-[(naphthalen-1-yl)methylidene]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-5-imino-2-(2-methylpropyl)-6-[(naphthalen-1-yl)methylidene]-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CC(C)CC(SC1=NC(/C2=C\c3cccc4ccccc34)=O)=NN1C2=N

InChI

InChI=1S/C20H18N4OS/c1-12(2)10-17-23-24-18(21)16(19(25)22-20(24)26-17)11-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12,21H,10H2,1-2H3

InChI Key

AGXFZUSKLPRYHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.173

Distribution Coefficient, logD

2.264

Water Solubility, LogSw

-4.25

Polar Surface Area

54.651

Acid Dissociation Constant (pKa)

24.30

Base Dissociation Constant (pKb)

9.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4277-0029 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4277-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4277-0029?
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What is the minimum amount of 4277-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4277-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4277-0029
  • 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 4277-0029 available by request