Y043-7109 Screening compound: methyl 5-{[(9-oxo-9H-isoquino[2,3,4-lm]beta-carbolin-5-yl)oxy]methyl}-2-furoate

Y043-7109 Screening compound: methyl 5-{[(9-oxo-9H-isoquino[2,3,4-lm]beta-carbolin-5-yl)oxy]methyl}-2-furoate
Y043-7109 Screening compound: methyl 5-{[(9-oxo-9H-isoquino[2,3,4-lm]beta-carbolin-5-yl)oxy]methyl}-2-furoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-7109
methyl 5-{[(9-oxo-9H-isoquino[2,3,4-lm]beta-carbolin-5-yl)oxy]methyl}-2-furoate

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

Y043-7109

Molecular Formula

C25H16N2O5 (C25 H16 N2 O5)

Compound Name

methyl 5-{[(9-oxo-9H-isoquino[2,3,4-lm]beta-carbolin-5-yl)oxy]methyl}-2-furoate

IUPAC name

methyl 5-[({19-oxo-111-diazapentacyclo[10.7.1.0^{27}.0^{820}.0^{1318}]icosa-2(7)358(20)911131517-nonaen-5-yl}oxy)methyl]furan-2-carboxylate

SMILES

COC(c1ccc(COc(cc2)cc(c3ccnc(-c4c5cccc4)c33)c2n3C5=O)o1)=O

InChI

InChI=1S/C25H16N2O5/c1-30-25(29)21-9-7-15(32-21)13-31-14-6-8-20-19(12-14)17-10-11-26-22-16-4-2-3-5-18(16)24(28)27(20)23(17)22/h2-12H,13H2,1H3

InChI Key

XFHMCMIQOMRXMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31751718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.028

Distribution Coefficient, logD

3.986

Water Solubility, LogSw

-4.30

Polar Surface Area

60.211

Acid Dissociation Constant (pKa)

33.89

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

Y043-7109 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 Y043-7109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-7109?
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What is the minimum amount of Y043-7109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-7109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-7109
  • 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 Y043-7109 available by request