Y500-4779 Screening compound: (E)-2,3-dibromo-4-[(E)-2-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furyl}carbonyl)hydrazono]-2-butenoic acid

Y500-4779 Screening compound: (E)-2,3-dibromo-4-[(E)-2-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furyl}carbonyl)hydrazono]-2-butenoic acid
Y500-4779 Screening compound: (E)-2,3-dibromo-4-[(E)-2-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furyl}carbonyl)hydrazono]-2-butenoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-4779
(E)-2,3-dibromo-4-[(E)-2-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furyl}carbonyl)hydrazono]-2-butenoic acid

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

Y500-4779

Molecular Formula

C15H13Br2ClN4O4 (C15 H13 Br2 ClN4 O4)

Compound Name

(E)-2,3-dibromo-4-[(E)-2-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furyl}carbonyl)hydrazono]-2-butenoic acid

IUPAC name

(2E4E)-23-dibromo-4-[({5-[(4-chloro-35-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}formamido)imino]but-2-enoic acid

SMILES

Cc(n(Cc1ccc(C(N/N=C/C(/Br)=C(/C(O)=O)\Br)=O)o1)nc1C)c1Cl

InChI

InChI=1S/C15H13Br2ClN4O4/c1-7-13(18)8(2)22(21-7)6-9-3-4-11(26-9)14(23)20-19-5-10(16)12(17)15(24)25/h3-5H,6H2,1-2H3,(H,20,23)(H,24,25)

InChI Key

BPWYYCNBCJENFB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.809

Distribution Coefficient, logD

-2.816

Water Solubility, LogSw

-3.44

Polar Surface Area

86.357

Acid Dissociation Constant (pKa)

1.77

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with Y500-4779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-4779?
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What is the minimum amount of Y500-4779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-4779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-4779
  • 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 Y500-4779 available by request