Y041-3205 Screening compound: N-[3-(1H-imidazol-1-yl)propyl]-3-{5-methoxy-4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-3-yl}propanamide

Y041-3205 Screening compound: N-[3-(1H-imidazol-1-yl)propyl]-3-{5-methoxy-4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-3-yl}propanamide
Y041-3205 Screening compound: N-[3-(1H-imidazol-1-yl)propyl]-3-{5-methoxy-4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3205
N-[3-(1H-imidazol-1-yl)propyl]-3-{5-methoxy-4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-3-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

Y041-3205

Molecular Formula

C25H31N3O5 (C25 H31 N3 O5)

Compound Name

N-[3-(1H-imidazol-1-yl)propyl]-3-{5-methoxy-4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-3-yl}propanamide

IUPAC name

N-[3-(1H-imidazol-1-yl)propyl]-3-{5-methoxy-488-trimethyl-2-oxo-2H8H9H10H-pyrano[23-h]chromen-3-yl}propanamide

SMILES

CC(C)(CC1)Oc2c1c(OC(C(CCC(NCCCn1cncc1)=O)=C1C)=O)c1c(OC)c2

InChI

InChI=1S/C25H31N3O5/c1-16-17(6-7-21(29)27-10-5-12-28-13-11-26-15-28)24(30)32-23-18-8-9-25(2,3)33-19(18)14-20(31-4)22(16)23/h11,13-15H,5-10,12H2,1-4H3,(H,27,29)

InChI Key

KPFFWJJBUUDPPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27641361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.354

Distribution Coefficient, logD

2.112

Water Solubility, LogSw

-2.56

Polar Surface Area

71.650

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

Y041-3205 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-3205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3205?
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What is the minimum amount of Y041-3205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3205
  • 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 Y041-3205 available by request