D086-0110 Screening compound: 5-amino-1-(4-butylphenyl)-4-(6-methyl-1H-1,3-benzodiazol-2-yl)-2,3-dihydro-1H-pyrrol-3-one

D086-0110 Screening compound: 5-amino-1-(4-butylphenyl)-4-(6-methyl-1H-1,3-benzodiazol-2-yl)-2,3-dihydro-1H-pyrrol-3-one
D086-0110 Screening compound: 5-amino-1-(4-butylphenyl)-4-(6-methyl-1H-1,3-benzodiazol-2-yl)-2,3-dihydro-1H-pyrrol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D086-0110
5-amino-1-(4-butylphenyl)-4-(6-methyl-1H-1,3-benzodiazol-2-yl)-2,3-dihydro-1H-pyrrol-3-one

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

D086-0110

Molecular Formula

C22H24N4O (C22 H24 N4 O)

Compound Name

5-amino-1-(4-butylphenyl)-4-(6-methyl-1H-1,3-benzodiazol-2-yl)-2,3-dihydro-1H-pyrrol-3-one

IUPAC name

5-amino-1-(4-butylphenyl)-4-(6-methyl-1H-13-benzodiazol-2-yl)-23-dihydro-1H-pyrrol-3-one

SMILES

CCCCc(cc1)ccc1N(CC1=O)C(N)=C1c1nc(ccc(C)c2)c2[nH]1

InChI

InChI=1S/C22H24N4O/c1-3-4-5-15-7-9-16(10-8-15)26-13-19(27)20(21(26)23)22-24-17-11-6-14(2)12-18(17)25-22/h6-12H,3-5,13,23H2,1-2H3,(H,24,25)

InChI Key

LTBOUZOUHDDVQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08568046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.908

Distribution Coefficient, logD

4.908

Water Solubility, LogSw

-4.73

Polar Surface Area

55.990

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with D086-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D086-0110?
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What is the minimum amount of D086-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D086-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D086-0110
  • 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 D086-0110 available by request