Y040-4451 Screening compound: 6,8-dichloro-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bichromen]-7'-yl acetate

Y040-4451 Screening compound: 6,8-dichloro-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bichromen]-7'-yl acetate
Y040-4451 Screening compound: 6,8-dichloro-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bichromen]-7'-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4451
6,8-dichloro-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bichromen]-7'-yl acetate

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

Y040-4451

Molecular Formula

C21H12Cl2O6 (C21 H12 Cl2 O6)

Compound Name

6,8-dichloro-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bichromen]-7'-yl acetate

IUPAC name

68-dichloro-8'-methyl-22'-dioxo-2H2'H-[34'-bichromen]-7'-yl acetate

SMILES

CC(Oc(cc1)c(C)c(O2)c1C(C1=Cc3cc(Cl)cc(Cl)c3OC1=O)=CC2=O)=O

InChI

InChI=1S/C21H12Cl2O6/c1-9-17(27-10(2)24)4-3-13-14(8-18(25)28-19(9)13)15-6-11-5-12(22)7-16(23)20(11)29-21(15)26/h3-8H,1-2H3

InChI Key

GRDFOTFWUIDRIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05674024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.23

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.352

Distribution Coefficient, logD

4.352

Water Solubility, LogSw

-4.58

Polar Surface Area

61.502

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

Y040-4451 in Drug Discovery

Included in Screening Libraries

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-4451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4451?
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What is the minimum amount of Y040-4451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4451
  • 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 Y040-4451 available by request