Y043-3724 Screening compound: N~3~-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

Y043-3724 Screening compound: N~3~-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
Y043-3724 Screening compound: N~3~-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-3724
N~3~-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-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

Y043-3724

Molecular Formula

C16H17N5O (C16 H17 N5 O)

Compound Name

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

IUPAC name

N-[2-(1H-13-benzodiazol-1-yl)ethyl]-1H4H5H6H-cyclopenta[c]pyrazole-3-carboxamide

SMILES

O=C(c1n[nH]c2c1CCC2)NCCn1c(cccc2)c2nc1

InChI

InChI=1S/C16H17N5O/c22-16(15-11-4-3-6-12(11)19-20-15)17-8-9-21-10-18-13-5-1-2-7-14(13)21/h1-2,5,7,10H,3-4,6,8-9H2,(H,17,22)(H,19,20)

InChI Key

CBEORNYVOAVFNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23138751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.176

Distribution Coefficient, logD

1.173

Water Solubility, LogSw

-1.97

Polar Surface Area

60.247

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

Y043-3724 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-3724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-3724?
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What is the minimum amount of Y043-3724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-3724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-3724
  • 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 Y043-3724 available by request