8017-0423 Screening compound: N-[4-(2H-1,2,3-benzotriazol-2-yl)phenyl]-3-nitro-N-(propan-2-yl)benzamide

8017-0423 Screening compound: N-[4-(2H-1,2,3-benzotriazol-2-yl)phenyl]-3-nitro-N-(propan-2-yl)benzamide
8017-0423 Screening compound: N-[4-(2H-1,2,3-benzotriazol-2-yl)phenyl]-3-nitro-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0423
N-[4-(2H-1,2,3-benzotriazol-2-yl)phenyl]-3-nitro-N-(propan-2-yl)benzamide

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

8017-0423

Molecular Formula

C22H19N5O3 (C22 H19 N5 O3)

Compound Name

N-[4-(2H-1,2,3-benzotriazol-2-yl)phenyl]-3-nitro-N-(propan-2-yl)benzamide

IUPAC name

N-[4-(2H-123-benzotriazol-2-yl)phenyl]-3-nitro-N-(propan-2-yl)benzamide

SMILES

CC(C)N(C(c1cccc([N+]([O-])=O)c1)=O)c(cc1)ccc1-n1nc(cccc2)c2n1

InChI

InChI=1S/C22H19N5O3/c1-15(2)25(22(28)16-6-5-7-19(14-16)27(29)30)17-10-12-18(13-11-17)26-23-20-8-3-4-9-21(20)24-26/h3-15H,1-2H3

InChI Key

PGBXPSNQUVBRRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.686

Distribution Coefficient, logD

4.686

Water Solubility, LogSw

-4.57

Polar Surface Area

73.129

Acid Dissociation Constant (pKa)

25.92

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

8017-0423 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-0423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0423?
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What is the minimum amount of 8017-0423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0423
  • 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 8017-0423 available by request