4540-0078 Screening compound: 2-{5-[(E)-(2-{6-[(2,5-dimethoxyphenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}hydrazin-1-ylidene)methyl]furan-2-yl}benzoic acid

4540-0078 Screening compound: 2-{5-[(E)-(2-{6-[(2,5-dimethoxyphenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}hydrazin-1-ylidene)methyl]furan-2-yl}benzoic acid
4540-0078 Screening compound: 2-{5-[(E)-(2-{6-[(2,5-dimethoxyphenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}hydrazin-1-ylidene)methyl]furan-2-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4540-0078
2-{5-[(E)-(2-{6-[(2,5-dimethoxyphenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}hydrazin-1-ylidene)methyl]furan-2-yl}benzoic 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

4540-0078

Molecular Formula

C24H19N7O6 (C24 H19 N7 O6)

Compound Name

2-{5-[(E)-(2-{6-[(2,5-dimethoxyphenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}hydrazin-1-ylidene)methyl]furan-2-yl}benzoic acid

IUPAC name

2-{5-[(E)-(2-{6-[(25-dimethoxyphenyl)amino]-[125]oxadiazolo[34-b]pyrazin-5-yl}hydrazin-1-ylidene)methyl]furan-2-yl}benzoic acid

SMILES

COc(cc1)cc(Nc2nc3nonc3nc2N/N=C/c2ccc(-c(cccc3)c3C(O)=O)o2)c1OC

InChI

InChI=1S/C24H19N7O6/c1-34-13-7-10-19(35-2)17(11-13)26-20-21(28-23-22(27-20)30-37-31-23)29-25-12-14-8-9-18(36-14)15-5-3-4-6-16(15)24(32)33/h3-12H,1-2H3,(H,32,33)(H,26,27,30)(H,28,29,31)

InChI Key

BCHKGECWDOTCNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05041874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

5.253

Distribution Coefficient, logD

1.201

Water Solubility, LogSw

-4.78

Polar Surface Area

137.225

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 4540-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4540-0078?
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What is the minimum amount of 4540-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4540-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4540-0078
  • 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 4540-0078 available by request