1682-8035 Screening compound: butyl 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]benzoate

1682-8035 Screening compound: butyl 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]benzoate
1682-8035 Screening compound: butyl 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-8035
butyl 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]benzoate

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

1682-8035

Molecular Formula

C24H26N2O5 (C24 H26 N2 O5)

Compound Name

butyl 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]benzoate

IUPAC name

butyl 4-[2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(C(C(C)C)N(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C24H26N2O5/c1-4-5-14-31-24(30)16-10-12-17(13-11-16)25-21(27)20(15(2)3)26-22(28)18-8-6-7-9-19(18)23(26)29/h6-13,15,20H,4-5,14H2,1-3H3,(H,25,27)/t20-/m0/s1

InChI Key

QLFMLCPIWJZBFA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00709827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.254

Distribution Coefficient, logD

5.254

Water Solubility, LogSw

-5.14

Polar Surface Area

72.863

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

1682-8035 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1682-8035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-8035?
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What is the minimum amount of 1682-8035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-8035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-8035
  • 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 1682-8035 available by request