3970-1224 Screening compound: (5E)-5-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

3970-1224 Screening compound: (5E)-5-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
3970-1224 Screening compound: (5E)-5-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3970-1224
(5E)-5-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-1-(3-methylphenyl)-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

3970-1224

Molecular Formula

C20H18BrN3O3 (C20 H18 BrN3 O3)

Compound Name

(5E)-5-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-5-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-1-(3-methylphenyl)-13-diazinane-246-trione

SMILES

Cc1cccc(N(C(/C(/C(N2)=O)=C/c(cc3)cc(Br)c3N(C)C)=O)C2=O)c1

InChI

InChI=1S/C20H18BrN3O3/c1-12-5-4-6-14(9-12)24-19(26)15(18(25)22-20(24)27)10-13-7-8-17(23(2)3)16(21)11-13/h4-11H,1-3H3,(H,22,25,27)

InChI Key

BAXAJBMLSSUIPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02379405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.585

Distribution Coefficient, logD

3.509

Water Solubility, LogSw

-3.86

Polar Surface Area

55.895

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 3970-1224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3970-1224?
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What is the minimum amount of 3970-1224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3970-1224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3970-1224
  • 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 3970-1224 available by request