2722-0032 Screening compound: 5-{[4-(4-methylphenyl)-2-(thiophen-2-yl)-4H-chromen-3-yl]methylidene}-1,3-diazinane-2,4,6-trione

2722-0032 Screening compound: 5-{[4-(4-methylphenyl)-2-(thiophen-2-yl)-4H-chromen-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
2722-0032 Screening compound: 5-{[4-(4-methylphenyl)-2-(thiophen-2-yl)-4H-chromen-3-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2722-0032
5-{[4-(4-methylphenyl)-2-(thiophen-2-yl)-4H-chromen-3-yl]methylidene}-1,3-diazinane-2,4,6-trione

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

2722-0032

Molecular Formula

C25H18N2O4S (C25 H18 N2 O4 S)

Compound Name

5-{[4-(4-methylphenyl)-2-(thiophen-2-yl)-4H-chromen-3-yl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

5-{[4-(4-methylphenyl)-2-(thiophen-2-yl)-4H-chromen-3-yl]methylidene}-13-diazinane-246-trione

SMILES

Cc1ccc(C2c(cccc3)c3OC(c3cccs3)=C2C=C(C(NC(N2)=O)=O)C2=O)cc1

InChI

InChI=1S/C25H18N2O4S/c1-14-8-10-15(11-9-14)21-16-5-2-3-6-19(16)31-22(20-7-4-12-32-20)17(21)13-18-23(28)26-25(30)27-24(18)29/h2-13,21H,1H3,(H2,26,27,28,29,30)/t21-/m1/s1

InChI Key

IGHCIGZYCVCEAX-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01179360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.379

Distribution Coefficient, logD

3.246

Water Solubility, LogSw

-4.55

Polar Surface Area

70.283

Acid Dissociation Constant (pKa)

6.30

Base Dissociation Constant (pKb)

-8.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

2722-0032 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2722-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2722-0032?
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What is the minimum amount of 2722-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2722-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2722-0032
  • 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 2722-0032 available by request