Y043-6246 Screening compound: N-[(1S,2S)-1-(1H-1,3-benzimidazol-2-yl)-2-methylbutyl]-4-(1H-1,2,3,4-tetraazol-1-yl)butanamide

Y043-6246 Screening compound: N-[(1S,2S)-1-(1H-1,3-benzimidazol-2-yl)-2-methylbutyl]-4-(1H-1,2,3,4-tetraazol-1-yl)butanamide
Y043-6246 Screening compound: N-[(1S,2S)-1-(1H-1,3-benzimidazol-2-yl)-2-methylbutyl]-4-(1H-1,2,3,4-tetraazol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-6246
N-[(1S,2S)-1-(1H-1,3-benzimidazol-2-yl)-2-methylbutyl]-4-(1H-1,2,3,4-tetraazol-1-yl)butanamide

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

Y043-6246

Molecular Formula

C17H23N7O (C17 H23 N7 O)

Compound Name

N-[(1S,2S)-1-(1H-1,3-benzimidazol-2-yl)-2-methylbutyl]-4-(1H-1,2,3,4-tetraazol-1-yl)butanamide

IUPAC name

N-[(1S2S)-1-(1H-13-benzodiazol-2-yl)-2-methylbutyl]-4-(1H-1234-tetrazol-1-yl)butanamide

SMILES

CC[C@H](C)[C@@H](c1nc(cccc2)c2[nH]1)NC(CCCn1nnnc1)=O

InChI

InChI=1S/C17H23N7O/c1-3-12(2)16(17-19-13-7-4-5-8-14(13)20-17)21-15(25)9-6-10-24-11-18-22-23-24/h4-5,7-8,11-12,16H,3,6,9-10H2,1-2H3,(H,19,20)(H,21,25)/t12-,16-/m0/s1

InChI Key

IJXMFNOMQOTZSH-LRDDRELGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.477

Distribution Coefficient, logD

1.475

Water Solubility, LogSw

-2.11

Polar Surface Area

83.245

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.06

Y043-6246 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y043-6246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-6246?
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What is the minimum amount of Y043-6246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-6246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-6246
  • 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 Y043-6246 available by request