8017-1192 Screening compound: N~1~-[4-(2H-1,2,3-benzotriazol-2-yl)phenyl]-2-fluoro-N~1~-isopropylbenzamide

8017-1192 Screening compound: N~1~-[4-(2H-1,2,3-benzotriazol-2-yl)phenyl]-2-fluoro-N~1~-isopropylbenzamide
8017-1192 Screening compound: N~1~-[4-(2H-1,2,3-benzotriazol-2-yl)phenyl]-2-fluoro-N~1~-isopropylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1192
N~1~-[4-(2H-1,2,3-benzotriazol-2-yl)phenyl]-2-fluoro-N~1~-isopropylbenzamide

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

8017-1192

Molecular Formula

C22H19FN4O (C22 H19 FN4 O)

Compound Name

N~1~-[4-(2H-1,2,3-benzotriazol-2-yl)phenyl]-2-fluoro-N~1~-isopropylbenzamide

IUPAC name

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

SMILES

CC(C)N(C(c(cccc1)c1F)=O)c(cc1)ccc1-n1nc(cccc2)c2n1

InChI

InChI=1S/C22H19FN4O/c1-15(2)26(22(28)18-7-3-4-8-19(18)23)16-11-13-17(14-12-16)27-24-20-9-5-6-10-21(20)25-27/h3-15H,1-2H3

InChI Key

NUKGHUJJDIHZLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.044

Distribution Coefficient, logD

5.044

Water Solubility, LogSw

-4.69

Polar Surface Area

39.747

Acid Dissociation Constant (pKa)

25.69

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.64

8017-1192 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 8017-1192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1192?
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What is the minimum amount of 8017-1192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1192
  • 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 8017-1192 available by request