8018-9903 Screening compound: 4,6-dimethyl-N'-[(E)-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene]-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide

8018-9903 Screening compound: 4,6-dimethyl-N'-[(E)-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene]-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide
8018-9903 Screening compound: 4,6-dimethyl-N'-[(E)-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene]-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9903
4,6-dimethyl-N'-[(E)-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene]-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-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

8018-9903

Molecular Formula

C25H20N6O3S (C25 H20 N6 O3 S)

Compound Name

4,6-dimethyl-N'-[(E)-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene]-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide

IUPAC name

46-dimethyl-N'-[(E)-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene]-3-(1H-pyrrol-1-yl)thieno[23-b]pyridine-2-carbohydrazide

SMILES

Cc1c(c(-n2cccc2)c(C(N/N=C/c2cccn2-c2cc([N+]([O-])=O)ccc2)=O)s2)c2nc(C)c1

InChI

InChI=1S/C25H20N6O3S/c1-16-13-17(2)27-25-21(16)22(29-10-3-4-11-29)23(35-25)24(32)28-26-15-20-9-6-12-30(20)18-7-5-8-19(14-18)31(33)34/h3-15H,1-2H3,(H,28,32)

InChI Key

ZSPVOZLDZIRRBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.830

Distribution Coefficient, logD

5.829

Water Solubility, LogSw

-5.82

Polar Surface Area

84.376

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with 8018-9903 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9903
  • 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 8018-9903 available by request