1671-0007 Screening compound: 2-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2,3-dihydro-1H-isoindole-1,3-dione

1671-0007 Screening compound: 2-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
1671-0007 Screening compound: 2-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1671-0007
2-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2,3-dihydro-1H-isoindole-1,3-dione

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

1671-0007

Molecular Formula

C28H37NO3 (C28 H37 NO3)

Compound Name

2-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-{4-[24-bis(2-methylbutan-2-yl)phenoxy]butyl}-23-dihydro-1H-isoindole-13-dione

SMILES

CCC(C)(C)c(cc1)cc(C(C)(C)CC)c1OCCCCN(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C28H37NO3/c1-7-27(3,4)20-15-16-24(23(19-20)28(5,6)8-2)32-18-12-11-17-29-25(30)21-13-9-10-14-22(21)26(29)31/h9-10,13-16,19H,7-8,11-12,17-18H2,1-6H3

InChI Key

SZVXYBSILNFQGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00719261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.368

Distribution Coefficient, logD

7.368

Water Solubility, LogSw

-5.60

Polar Surface Area

36.974

Acid Dissociation Constant (pKa)

27.21

Base Dissociation Constant (pKb)

-6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

1671-0007 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 1671-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1671-0007?
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What is the minimum amount of 1671-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1671-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1671-0007
  • 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 1671-0007 available by request