Y040-6095 Screening compound: 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-chloro-3-hydroxy-2,3-dihydro-1H-indol-2-one

Y040-6095 Screening compound: 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-chloro-3-hydroxy-2,3-dihydro-1H-indol-2-one
Y040-6095 Screening compound: 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-chloro-3-hydroxy-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6095
3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-chloro-3-hydroxy-2,3-dihydro-1H-indol-2-one

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

Y040-6095

Molecular Formula

C14H9BrClNO3S (C14 H9 BrClNO3 S)

Compound Name

3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-chloro-3-hydroxy-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-chloro-3-hydroxy-23-dihydro-1H-indol-2-one

SMILES

OC(CC(c(s1)ccc1Br)=O)(c(cccc1Cl)c1N1)C1=O

InChI

InChI=1S/C14H9BrClNO3S/c15-11-5-4-10(21-11)9(18)6-14(20)7-2-1-3-8(16)12(7)17-13(14)19/h1-5,20H,6H2,(H,17,19)/t14-/m0/s1

InChI Key

BTFNMJWHRTXPAG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD12212660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.153

Distribution Coefficient, logD

3.151

Water Solubility, LogSw

-3.52

Polar Surface Area

52.584

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.29

Y040-6095 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y040-6095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6095?
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What is the minimum amount of Y040-6095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6095
  • 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 Y040-6095 available by request