8017-6791 Screening compound: N-{2-methyl-5-[3-(1H-1,2,3,4-tetrazol-1-yl)propanamido]phenyl}-3-(1H-1,2,3,4-tetrazol-1-yl)propanamide

8017-6791 Screening compound: N-{2-methyl-5-[3-(1H-1,2,3,4-tetrazol-1-yl)propanamido]phenyl}-3-(1H-1,2,3,4-tetrazol-1-yl)propanamide
8017-6791 Screening compound: N-{2-methyl-5-[3-(1H-1,2,3,4-tetrazol-1-yl)propanamido]phenyl}-3-(1H-1,2,3,4-tetrazol-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6791
N-{2-methyl-5-[3-(1H-1,2,3,4-tetrazol-1-yl)propanamido]phenyl}-3-(1H-1,2,3,4-tetrazol-1-yl)propanamide

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

8017-6791

Molecular Formula

C15H18N10O2 (C15 H18 N10 O2)

Compound Name

N-{2-methyl-5-[3-(1H-1,2,3,4-tetrazol-1-yl)propanamido]phenyl}-3-(1H-1,2,3,4-tetrazol-1-yl)propanamide

IUPAC name

N-{2-methyl-5-[3-(1H-1234-tetrazol-1-yl)propanamido]phenyl}-3-(1H-1234-tetrazol-1-yl)propanamide

SMILES

Cc(ccc(NC(CCn1nnnc1)=O)c1)c1NC(CCn1nnnc1)=O

InChI

InChI=1S/C15H18N10O2/c1-11-2-3-12(18-14(26)4-6-24-9-16-20-22-24)8-13(11)19-15(27)5-7-25-10-17-21-23-25/h2-3,8-10H,4-7H2,1H3,(H,18,26)(H,19,27)

InChI Key

OQPPMOOETPQFBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.409

Distribution Coefficient, logD

-0.409

Water Solubility, LogSw

-1.85

Polar Surface Area

125.623

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8017-6791 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8017-6791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6791?
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What is the minimum amount of 8017-6791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6791
  • 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 8017-6791 available by request