8012-7139 Screening compound: N~1~-(4-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}-2,5-diethoxyphenyl)benzamide

8012-7139 Screening compound: N~1~-(4-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}-2,5-diethoxyphenyl)benzamide
8012-7139 Screening compound: N~1~-(4-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}-2,5-diethoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7139
N~1~-(4-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}-2,5-diethoxyphenyl)benzamide

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

8012-7139

Molecular Formula

C31H33N3O6 (C31 H33 N3 O6)

Compound Name

N~1~-(4-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}-2,5-diethoxyphenyl)benzamide

IUPAC name

N-{4-[6-(13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanamido]-25-diethoxyphenyl}benzamide

SMILES

CCOc(cc(c(OCC)c1)NC(c2ccccc2)=O)c1NC(CCCCCN(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C31H33N3O6/c1-3-39-26-20-25(33-29(36)21-13-7-5-8-14-21)27(40-4-2)19-24(26)32-28(35)17-9-6-12-18-34-30(37)22-15-10-11-16-23(22)31(34)38/h5,7-8,10-11,13-16,19-20H,3-4,6,9,12,17-18H2,1-2H3,(H,32,35)(H,33,36)

InChI Key

IYNKYIZBNOXNHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.268

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.10

Polar Surface Area

88.735

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.03

References: we are preparing a list of scientific research reports with 8012-7139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7139?
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What is the minimum amount of 8012-7139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7139
  • 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 8012-7139 available by request