P088-0698 Screening compound: N4-(butan-2-yl)-N1-(4-methylphenyl)-2,3-dihydro-1H-indole-1,4-dicarboxamide

P088-0698 Screening compound: N4-(butan-2-yl)-N1-(4-methylphenyl)-2,3-dihydro-1H-indole-1,4-dicarboxamide
P088-0698 Screening compound: N4-(butan-2-yl)-N1-(4-methylphenyl)-2,3-dihydro-1H-indole-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P088-0698
N4-(butan-2-yl)-N1-(4-methylphenyl)-2,3-dihydro-1H-indole-1,4-dicarboxamide

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

P088-0698

Molecular Formula

C21H25N3O2 (C21 H25 N3 O2)

Compound Name

N4-(butan-2-yl)-N1-(4-methylphenyl)-2,3-dihydro-1H-indole-1,4-dicarboxamide

IUPAC name

N4-(butan-2-yl)-N1-(4-methylphenyl)-23-dihydro-1H-indole-14-dicarboxamide

SMILES

CCC(C)NC(c1cccc2c1CCN2C(Nc1ccc(C)cc1)=O)=O

InChI

InChI=1S/C21H25N3O2/c1-4-15(3)22-20(25)18-6-5-7-19-17(18)12-13-24(19)21(26)23-16-10-8-14(2)9-11-16/h5-11,15H,4,12-13H2,1-3H3,(H,22,25)(H,23,26)/t15-/m0/s1

InChI Key

PIPQXHSMHJJXID-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29020311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.088

Distribution Coefficient, logD

4.088

Water Solubility, LogSw

-4.20

Polar Surface Area

48.864

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

P088-0698 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P088-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P088-0698?
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What is the minimum amount of P088-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P088-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P088-0698
  • 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 P088-0698 available by request