0927-0043 Screening compound: 2-[(2E)-2-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-4,6-bis(piperidin-1-yl)-1,3,5-triazine

0927-0043 Screening compound: 2-[(2E)-2-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-4,6-bis(piperidin-1-yl)-1,3,5-triazine
0927-0043 Screening compound: 2-[(2E)-2-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-4,6-bis(piperidin-1-yl)-1,3,5-triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0927-0043
2-[(2E)-2-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-4,6-bis(piperidin-1-yl)-1,3,5-triazine

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

0927-0043

Molecular Formula

C24H27ClN8O3 (C24 H27 ClN8 O3)

Compound Name

2-[(2E)-2-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-4,6-bis(piperidin-1-yl)-1,3,5-triazine

IUPAC name

2-[(2E)-2-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-46-bis(piperidin-1-yl)-135-triazine

SMILES

[O-][N+](c(cc1)cc(Cl)c1-c1ccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)o1)=O

InChI

InChI=1S/C24H27ClN8O3/c25-20-15-17(33(34)35)7-9-19(20)21-10-8-18(36-21)16-26-30-22-27-23(31-11-3-1-4-12-31)29-24(28-22)32-13-5-2-6-14-32/h7-10,15-16H,1-6,11-14H2,(H,27,28,29,30)

InChI Key

WLLBJROJKURDJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

7.658

Distribution Coefficient, logD

7.645

Water Solubility, LogSw

-7.08

Polar Surface Area

98.086

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

0927-0043 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0927-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 0927-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0927-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0927-0043
  • 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 0927-0043 available by request