8020-4147 Screening compound: 4-chloro-N'-{5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}benzohydrazide

8020-4147 Screening compound: 4-chloro-N'-{5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}benzohydrazide
8020-4147 Screening compound: 4-chloro-N'-{5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4147
4-chloro-N'-{5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}benzohydrazide

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

8020-4147

Molecular Formula

C14H10ClN7O5 (C14 H10 ClN7 O5)

Compound Name

4-chloro-N'-{5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}benzohydrazide

IUPAC name

4-chloro-N'-{5-[(3-nitro-1H-124-triazol-1-yl)methyl]-12-oxazole-3-carbonyl}benzohydrazide

SMILES

[O-][N+](c1nn(Cc2cc(C(NNC(c(cc3)ccc3Cl)=O)=O)no2)cn1)=O

InChI

InChI=1S/C14H10ClN7O5/c15-9-3-1-8(2-4-9)12(23)17-18-13(24)11-5-10(27-20-11)6-21-7-16-14(19-21)22(25)26/h1-5,7H,6H2,(H,17,23)(H,18,24)

InChI Key

FGJOJDYOYNSQFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.73

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.442

Distribution Coefficient, logD

1.435

Water Solubility, LogSw

-2.79

Polar Surface Area

128.808

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8020-4147 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-4147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4147?
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What is the minimum amount of 8020-4147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4147
  • 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 8020-4147 available by request