Y041-3787 Screening compound: 8'-(acetyloxy)-6-bromo-2,2'-dioxo-2H,2'H-[3,4'-bichromen]-7'-yl acetate

Y041-3787 Screening compound: 8'-(acetyloxy)-6-bromo-2,2'-dioxo-2H,2'H-[3,4'-bichromen]-7'-yl acetate
Y041-3787 Screening compound: 8'-(acetyloxy)-6-bromo-2,2'-dioxo-2H,2'H-[3,4'-bichromen]-7'-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3787
8'-(acetyloxy)-6-bromo-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

Y041-3787

Molecular Formula

C22H13BrO8 (C22 H13 BrO8)

Compound Name

8'-(acetyloxy)-6-bromo-2,2'-dioxo-2H,2'H-[3,4'-bichromen]-7'-yl acetate

IUPAC name

8'-(acetyloxy)-6-bromo-22'-dioxo-2H2'H-[34'-bichromen]-7'-yl acetate

SMILES

CC(Oc(ccc(C(C1=Cc(cc(cc2)Br)c2OC1=O)=C1)c2OC1=O)c2OC(C)=O)=O

InChI

InChI=1S/C22H13BrO8/c1-10(24)28-18-6-4-14-15(9-19(26)31-20(14)21(18)29-11(2)25)16-8-12-7-13(23)3-5-17(12)30-22(16)27/h3-9H,1-2H3

InChI Key

VPSYLUXAIZXMNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05670810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.24

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.146

Distribution Coefficient, logD

3.146

Water Solubility, LogSw

-3.34

Polar Surface Area

82.742

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

Y041-3787 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-3787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3787?
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What is the minimum amount of Y041-3787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3787
  • 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 Y041-3787 available by request