8012-7754 Screening compound: 3-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-(furan-2-yl)propanoic acid

8012-7754 Screening compound: 3-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-(furan-2-yl)propanoic acid
8012-7754 Screening compound: 3-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-(furan-2-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7754
3-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-(furan-2-yl)propanoic 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

8012-7754

Molecular Formula

C21H22N2O6 (C21 H22 N2 O6)

Compound Name

3-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-(furan-2-yl)propanoic acid

IUPAC name

3-[6-(13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanamido]-3-(furan-2-yl)propanoic acid

SMILES

OC(CC(c1ccco1)NC(CCCCCN(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C21H22N2O6/c24-18(22-16(13-19(25)26)17-9-6-12-29-17)10-2-1-5-11-23-20(27)14-7-3-4-8-15(14)21(23)28/h3-4,6-9,12,16H,1-2,5,10-11,13H2,(H,22,24)(H,25,26)/t16-/m0/s1

InChI Key

VTBWVDOPEARKSI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03133783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.541

Distribution Coefficient, logD

-1.110

Water Solubility, LogSw

-2.14

Polar Surface Area

90.534

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8012-7754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7754?
Check Price and Availability of 8012-7754, 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 8012-7754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7754
  • 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 8012-7754 available by request