0075-0112 Screening compound: 3,5-dibromo-N-{4-chloro-2-[5-methyl-2-(propan-2-yl)phenoxy]phenyl}-2-hydroxybenzamide

0075-0112 Screening compound: 3,5-dibromo-N-{4-chloro-2-[5-methyl-2-(propan-2-yl)phenoxy]phenyl}-2-hydroxybenzamide
0075-0112 Screening compound: 3,5-dibromo-N-{4-chloro-2-[5-methyl-2-(propan-2-yl)phenoxy]phenyl}-2-hydroxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0075-0112
3,5-dibromo-N-{4-chloro-2-[5-methyl-2-(propan-2-yl)phenoxy]phenyl}-2-hydroxybenzamide

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

0075-0112

Molecular Formula

C23H20Br2ClNO3 (C23 H20 Br2 ClNO3)

Compound Name

3,5-dibromo-N-{4-chloro-2-[5-methyl-2-(propan-2-yl)phenoxy]phenyl}-2-hydroxybenzamide

IUPAC name

35-dibromo-N-{4-chloro-2-[5-methyl-2-(propan-2-yl)phenoxy]phenyl}-2-hydroxybenzamide

SMILES

CC(C)c(ccc(C)c1)c1Oc(cc(cc1)Cl)c1NC(c1cc(Br)cc(Br)c1O)=O

InChI

InChI=1S/C23H20Br2ClNO3/c1-12(2)16-6-4-13(3)8-20(16)30-21-11-15(26)5-7-19(21)27-23(29)17-9-14(24)10-18(25)22(17)28/h4-12,28H,1-3H3,(H,27,29)

InChI Key

ISZUGKTVSSHHID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.879

Distribution Coefficient, logD

7.865

Water Solubility, LogSw

-6.12

Polar Surface Area

45.032

Acid Dissociation Constant (pKa)

6.43

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

0075-0112 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0075-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0075-0112?
Check Price and Availability of 0075-0112, 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 0075-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0075-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0075-0112
  • 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 0075-0112 available by request