8012-8842 Screening compound: 5-benzyl-3-(2-hydroxy-5-iodophenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

8012-8842 Screening compound: 5-benzyl-3-(2-hydroxy-5-iodophenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
8012-8842 Screening compound: 5-benzyl-3-(2-hydroxy-5-iodophenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8842
5-benzyl-3-(2-hydroxy-5-iodophenyl)-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

8012-8842

Molecular Formula

C23H23IN2O5S (C23 H23 IN2 O5 S)

Compound Name

5-benzyl-3-(2-hydroxy-5-iodophenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

IUPAC name

5-benzyl-3-(2-hydroxy-5-iodophenyl)-1-[2-(methylsulfanyl)ethyl]-46-dioxo-octahydropyrrolo[34-c]pyrrole-1-carboxylic acid

SMILES

CSCCC(C(C1C(N2Cc3ccccc3)=O)C2=O)(C(O)=O)NC1c(cc(cc1)I)c1O

InChI

InChI=1S/C23H23IN2O5S/c1-32-10-9-23(22(30)31)18-17(19(25-23)15-11-14(24)7-8-16(15)27)20(28)26(21(18)29)12-13-5-3-2-4-6-13/h2-8,11,17-19,25,27H,9-10,12H2,1H3,(H,30,31)

InChI Key

KRDVQZUTUDAXMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03175188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.827

Distribution Coefficient, logD

1.509

Water Solubility, LogSw

-3.71

Polar Surface Area

87.991

Acid Dissociation Constant (pKa)

3.22

Base Dissociation Constant (pKb)

6.96

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

34.78

8012-8842 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8012-8842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8842?
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What is the minimum amount of 8012-8842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8842
  • 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 8012-8842 available by request