Y042-7047 Screening compound: N~3~-[3-(1-isobutyl-1H-1,3-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

Y042-7047 Screening compound: N~3~-[3-(1-isobutyl-1H-1,3-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
Y042-7047 Screening compound: N~3~-[3-(1-isobutyl-1H-1,3-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7047
N~3~-[3-(1-isobutyl-1H-1,3-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

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

Y042-7047

Molecular Formula

C21H27N5O (C21 H27 N5 O)

Compound Name

N~3~-[3-(1-isobutyl-1H-1,3-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

IUPAC name

N-{3-[1-(2-methylpropyl)-1H-13-benzodiazol-2-yl]propyl}-1H4H5H6H-cyclopenta[c]pyrazole-3-carboxamide

SMILES

CC(C)Cn1c(cccc2)c2nc1CCCNC(c1n[nH]c2c1CCC2)=O

InChI

InChI=1S/C21H27N5O/c1-14(2)13-26-18-10-4-3-8-17(18)23-19(26)11-6-12-22-21(27)20-15-7-5-9-16(15)24-25-20/h3-4,8,10,14H,5-7,9,11-13H2,1-2H3,(H,22,27)(H,24,25)

InChI Key

YCWWOMVHJMSSOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28058451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.470

Distribution Coefficient, logD

3.469

Water Solubility, LogSw

-3.75

Polar Surface Area

60.989

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

References: we are preparing a list of scientific research reports with Y042-7047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7047?
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What is the minimum amount of Y042-7047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7047
  • 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 Y042-7047 available by request