0466-0305 Screening compound: 4-{2-[4-(4-bromobenzoyloxy)phenyl]butan-2-yl}phenyl 4-bromobenzoate

0466-0305 Screening compound: 4-{2-[4-(4-bromobenzoyloxy)phenyl]butan-2-yl}phenyl 4-bromobenzoate
0466-0305 Screening compound: 4-{2-[4-(4-bromobenzoyloxy)phenyl]butan-2-yl}phenyl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0466-0305
4-{2-[4-(4-bromobenzoyloxy)phenyl]butan-2-yl}phenyl 4-bromobenzoate

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

0466-0305

Molecular Formula

C30H24Br2O4 (C30 H24 Br2 O4)

Compound Name

4-{2-[4-(4-bromobenzoyloxy)phenyl]butan-2-yl}phenyl 4-bromobenzoate

IUPAC name

4-{2-[4-(4-bromobenzoyloxy)phenyl]butan-2-yl}phenyl 4-bromobenzoate

SMILES

CCC(C)(c(cc1)ccc1OC(c(cc1)ccc1Br)=O)c(cc1)ccc1OC(c(cc1)ccc1Br)=O

InChI

InChI=1S/C30H24Br2O4/c1-3-30(2,22-8-16-26(17-9-22)35-28(33)20-4-12-24(31)13-5-20)23-10-18-27(19-11-23)36-29(34)21-6-14-25(32)15-7-21/h4-19H,3H2,1-2H3

InChI Key

YSMYZOWFXLXVDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00223381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

608.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.803

Distribution Coefficient, logD

8.803

Water Solubility, LogSw

-5.92

Polar Surface Area

40.722

Acid Dissociation Constant (pKa)

26.43

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

0466-0305 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0466-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0466-0305?
Check Price and Availability of 0466-0305, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0466-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0466-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0466-0305
  • 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 0466-0305 available by request