3583-0192 Screening compound: 5-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione

3583-0192 Screening compound: 5-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
3583-0192 Screening compound: 5-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3583-0192
5-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione

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

3583-0192

Molecular Formula

C18H22BrNO4 (C18 H22 BrNO4)

Compound Name

5-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione

IUPAC name

5-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-2-tert-butyl-2-methyl-13-dioxane-46-dione

SMILES

CC(C)(C)C(C)(OC(C1=Cc(cc2)cc(Br)c2N(C)C)=O)OC1=O

InChI

InChI=1S/C18H22BrNO4/c1-17(2,3)18(4)23-15(21)12(16(22)24-18)9-11-7-8-14(20(5)6)13(19)10-11/h7-10H,1-6H3

InChI Key

ODPFYUWXEUCHER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02314771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.248

Distribution Coefficient, logD

4.248

Water Solubility, LogSw

-4.47

Polar Surface Area

43.852

Acid Dissociation Constant (pKa)

29.81

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with 3583-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3583-0192?
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What is the minimum amount of 3583-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3583-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3583-0192
  • 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 3583-0192 available by request