1559-0517 Screening compound: N'-[(2E)-1-(1H-1,2,3-benzotriazol-1-yl)propan-2-ylidene]-4-tert-butylbenzohydrazide

1559-0517 Screening compound: N'-[(2E)-1-(1H-1,2,3-benzotriazol-1-yl)propan-2-ylidene]-4-tert-butylbenzohydrazide
1559-0517 Screening compound: N'-[(2E)-1-(1H-1,2,3-benzotriazol-1-yl)propan-2-ylidene]-4-tert-butylbenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1559-0517
N'-[(2E)-1-(1H-1,2,3-benzotriazol-1-yl)propan-2-ylidene]-4-tert-butylbenzohydrazide

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

1559-0517

Molecular Formula

C20H23N5O (C20 H23 N5 O)

Compound Name

N'-[(2E)-1-(1H-1,2,3-benzotriazol-1-yl)propan-2-ylidene]-4-tert-butylbenzohydrazide

IUPAC name

N'-[(2E)-1-(1H-123-benzotriazol-1-yl)propan-2-ylidene]-4-tert-butylbenzohydrazide

SMILES

CC(C)(C)c(cc1)ccc1C(N/N=C(\C)/Cn1nnc2c1cccc2)=O

InChI

InChI=1S/C20H23N5O/c1-14(13-25-18-8-6-5-7-17(18)22-24-25)21-23-19(26)15-9-11-16(12-10-15)20(2,3)4/h5-12H,13H2,1-4H3,(H,23,26)

InChI Key

ZKKYGPXKBHEARX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.954

Distribution Coefficient, logD

3.940

Water Solubility, LogSw

-4.02

Polar Surface Area

60.621

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

1559-0517 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 1559-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1559-0517?
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What is the minimum amount of 1559-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1559-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1559-0517
  • 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 1559-0517 available by request