D724-0211 Screening compound: 5-[3-(4-butylanilino)-2-hydroxypropyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

D724-0211 Screening compound: 5-[3-(4-butylanilino)-2-hydroxypropyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
D724-0211 Screening compound: 5-[3-(4-butylanilino)-2-hydroxypropyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound D724-0211
5-[3-(4-butylanilino)-2-hydroxypropyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

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

D724-0211

Molecular Formula

C26H28N4O2 (C26 H28 N4 O2)

Compound Name

5-[3-(4-butylanilino)-2-hydroxypropyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

8-{3-[(4-butylphenyl)amino]-2-hydroxypropyl}-11-methyl-13-oxo-18-diazatricyclo[7.4.0.0^{27}]trideca-246911-pentaene-10-carbonitrile

SMILES

CCCCc(cc1)ccc1NCC(CN(c(cccc1)c1N1C(C=C2C)=O)C1=C2C#N)O

InChI

InChI=1S/C26H28N4O2/c1-3-4-7-19-10-12-20(13-11-19)28-16-21(31)17-29-23-8-5-6-9-24(23)30-25(32)14-18(2)22(15-27)26(29)30/h5-6,8-14,21,28,31H,3-4,7,16-17H2,1-2H3/t21-/m0/s1

InChI Key

MJCWNBDQYDMLSI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD05699098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.681

Distribution Coefficient, logD

4.681

Water Solubility, LogSw

-4.26

Polar Surface Area

61.784

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

D724-0211 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D724-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D724-0211?
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What is the minimum amount of D724-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D724-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D724-0211
  • 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 D724-0211 available by request