4076-0245 Screening compound: N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1H-pyrazole-5-carbohydrazide

4076-0245 Screening compound: N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1H-pyrazole-5-carbohydrazide
4076-0245 Screening compound: N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4076-0245
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1H-pyrazole-5-carbohydrazide

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

4076-0245

Molecular Formula

C21H21BrN4O4 (C21 H21 BrN4 O4)

Compound Name

N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1H-pyrazole-5-carbohydrazide

IUPAC name

N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1H-pyrazole-5-carbohydrazide

SMILES

CC(C)Oc(ccc(-c1n[nH]c(C(N/N=C/c(cc(cc2)Br)c2O)=O)c1)c1)c1OC

InChI

InChI=1S/C21H21BrN4O4/c1-12(2)30-19-7-4-13(9-20(19)29-3)16-10-17(25-24-16)21(28)26-23-11-14-8-15(22)5-6-18(14)27/h4-12,27H,1-3H3,(H,24,25)(H,26,28)

InChI Key

QFPUIXYIROMQBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.773

Distribution Coefficient, logD

4.765

Water Solubility, LogSw

-4.34

Polar Surface Area

89.112

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

4076-0245 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4076-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4076-0245?
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What is the minimum amount of 4076-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4076-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4076-0245
  • 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 4076-0245 available by request