8020-7639 Screening compound: N'~2~-[(E)-1-(4-bromophenyl)methylidene]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide

8020-7639 Screening compound: N'~2~-[(E)-1-(4-bromophenyl)methylidene]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide
8020-7639 Screening compound: N'~2~-[(E)-1-(4-bromophenyl)methylidene]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-7639
N'~2~-[(E)-1-(4-bromophenyl)methylidene]-4,6-dimethyl-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

8020-7639

Molecular Formula

C21H17BrN4OS (C21 H17 BrN4 OS)

Compound Name

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

IUPAC name

N'-[(E)-(4-bromophenyl)methylidene]-46-dimethyl-3-(1H-pyrrol-1-yl)thieno[23-b]pyridine-2-carbohydrazide

SMILES

Cc1cc(C)nc2c1c(-n1cccc1)c(C(N/N=C/c(cc1)ccc1Br)=O)s2

InChI

InChI=1S/C21H17BrN4OS/c1-13-11-14(2)24-21-17(13)18(26-9-3-4-10-26)19(28-21)20(27)25-23-12-15-5-7-16(22)8-6-15/h3-12H,1-2H3,(H,25,27)

InChI Key

CVHQQPZBVHLOBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30711344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.721

Distribution Coefficient, logD

5.719

Water Solubility, LogSw

-5.76

Polar Surface Area

48.465

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

References: we are preparing a list of scientific research reports with 8020-7639 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 8020-7639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-7639
  • 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 8020-7639 available by request