4285-2679 Screening compound: 2-bromo-4-{[(4Z)-1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-6-methoxyphenyl acetate

4285-2679 Screening compound: 2-bromo-4-{[(4Z)-1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-6-methoxyphenyl acetate
4285-2679 Screening compound: 2-bromo-4-{[(4Z)-1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-6-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4285-2679
2-bromo-4-{[(4Z)-1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-6-methoxyphenyl acetate

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

4285-2679

Molecular Formula

C21H19BrN2O5 (C21 H19 BrN2 O5)

Compound Name

2-bromo-4-{[(4Z)-1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-6-methoxyphenyl acetate

IUPAC name

2-bromo-4-{[(4Z)-1-(34-dimethylphenyl)-35-dioxopyrazolidin-4-ylidene]methyl}-6-methoxyphenyl acetate

SMILES

CC(Oc(c(OC)cc(/C=C(/C(NN1c2cc(C)c(C)cc2)=O)\C1=O)c1)c1Br)=O

InChI

InChI=1S/C21H19BrN2O5/c1-11-5-6-15(7-12(11)2)24-21(27)16(20(26)23-24)8-14-9-17(22)19(29-13(3)25)18(10-14)28-4/h5-10H,1-4H3,(H,23,26)

InChI Key

HIAHMCRLZOBVJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02628473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.775

Distribution Coefficient, logD

3.551

Water Solubility, LogSw

-4.12

Polar Surface Area

71.315

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 4285-2679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4285-2679?
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What is the minimum amount of 4285-2679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4285-2679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4285-2679
  • 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 4285-2679 available by request