1522-0085 Screening compound: 4-(2-{4-[(2-bromo-3-methylbutanoyl)oxy]phenyl}propan-2-yl)phenyl 2-bromo-3-methylbutanoate

1522-0085 Screening compound: 4-(2-{4-[(2-bromo-3-methylbutanoyl)oxy]phenyl}propan-2-yl)phenyl 2-bromo-3-methylbutanoate
1522-0085 Screening compound: 4-(2-{4-[(2-bromo-3-methylbutanoyl)oxy]phenyl}propan-2-yl)phenyl 2-bromo-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1522-0085
4-(2-{4-[(2-bromo-3-methylbutanoyl)oxy]phenyl}propan-2-yl)phenyl 2-bromo-3-methylbutanoate

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

1522-0085

Molecular Formula

C25H30Br2O4 (C25 H30 Br2 O4)

Compound Name

4-(2-{4-[(2-bromo-3-methylbutanoyl)oxy]phenyl}propan-2-yl)phenyl 2-bromo-3-methylbutanoate

IUPAC name

4-(2-{4-[(2-bromo-3-methylbutanoyl)oxy]phenyl}propan-2-yl)phenyl 2-bromo-3-methylbutanoate

SMILES

CC(C)C(C(Oc1ccc(C(C)(C)c(cc2)ccc2OC(C(C(C)C)Br)=O)cc1)=O)Br

InChI

InChI=1S/C25H30Br2O4/c1-15(2)21(26)23(28)30-19-11-7-17(8-12-19)25(5,6)18-9-13-20(14-10-18)31-24(29)22(27)16(3)4/h7-16,21-22H,1-6H3

InChI Key

JHQYJMAHROAZLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.778

Distribution Coefficient, logD

7.778

Water Solubility, LogSw

-5.89

Polar Surface Area

41.266

Acid Dissociation Constant (pKa)

18.37

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

1522-0085 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1522-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1522-0085?
Check Price and Availability of 1522-0085, 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 1522-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1522-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1522-0085
  • 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 1522-0085 available by request