8015-6462 Screening compound: 2-({2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl}amino)acetic acid

8015-6462 Screening compound: 2-({2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl}amino)acetic acid
8015-6462 Screening compound: 2-({2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl}amino)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6462
2-({2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl}amino)acetic 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

8015-6462

Molecular Formula

C22H24N2O6 (C22 H24 N2 O6)

Compound Name

2-({2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl}amino)acetic acid

IUPAC name

2-({2-[4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)butanoyl]-55-dimethyl-3-oxocyclohex-1-en-1-yl}amino)acetic acid

SMILES

CC(C)(C1)CC(NCC(O)=O)=C(C(CCCN(C(c2c3cccc2)=O)C3=O)=O)C1=O

InChI

InChI=1S/C22H24N2O6/c1-22(2)10-15(23-12-18(27)28)19(17(26)11-22)16(25)8-5-9-24-20(29)13-6-3-4-7-14(13)21(24)30/h3-4,6-7,23H,5,8-12H2,1-2H3,(H,27,28)

InChI Key

SFQHGTZENJZJCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.617

Distribution Coefficient, logD

-2.760

Water Solubility, LogSw

-2.05

Polar Surface Area

94.856

Acid Dissociation Constant (pKa)

4.02

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

8015-6462 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8015-6462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6462?
Check Price and Availability of 8015-6462, 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 8015-6462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6462
  • 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 8015-6462 available by request