8011-9622 Screening compound: 5-(4-bromophenyl)-3-(2-hydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

8011-9622 Screening compound: 5-(4-bromophenyl)-3-(2-hydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
8011-9622 Screening compound: 5-(4-bromophenyl)-3-(2-hydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9622
5-(4-bromophenyl)-3-(2-hydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

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

8011-9622

Molecular Formula

C22H21BrN2O5S (C22 H21 BrN2 O5 S)

Compound Name

5-(4-bromophenyl)-3-(2-hydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

IUPAC name

5-(4-bromophenyl)-3-(2-hydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-46-dioxo-octahydropyrrolo[34-c]pyrrole-1-carboxylic acid

SMILES

CSCCC(C(C1C(N2c(cc3)ccc3Br)=O)C2=O)(C(O)=O)NC1c(cccc1)c1O

InChI

InChI=1S/C22H21BrN2O5S/c1-31-11-10-22(21(29)30)17-16(18(24-22)14-4-2-3-5-15(14)26)19(27)25(20(17)28)13-8-6-12(23)7-9-13/h2-9,16-18,24,26H,10-11H2,1H3,(H,29,30)

InChI Key

GQPHXLZRRROWND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02853154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.665

Distribution Coefficient, logD

0.346

Water Solubility, LogSw

-3.01

Polar Surface Area

87.380

Acid Dissociation Constant (pKa)

3.22

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

31.82

References: we are preparing a list of scientific research reports with 8011-9622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9622?
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What is the minimum amount of 8011-9622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9622
  • 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 8011-9622 available by request