D086-0332 Screening compound: 5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1H-pyrrol-3-one

D086-0332 Screening compound: 5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1H-pyrrol-3-one
D086-0332 Screening compound: 5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1H-pyrrol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D086-0332
5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-(4-chloro-2-methoxy-5-methylphenyl)-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

D086-0332

Molecular Formula

C19H17ClN4O2 (C19 H17 ClN4 O2)

Compound Name

5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1H-pyrrol-3-one

IUPAC name

5-amino-4-(1H-13-benzodiazol-2-yl)-1-(4-chloro-2-methoxy-5-methylphenyl)-23-dihydro-1H-pyrrol-3-one

SMILES

Cc(cc(c(OC)c1)N(CC2=O)C(N)=C2c2nc(cccc3)c3[nH]2)c1Cl

InChI

InChI=1S/C19H17ClN4O2/c1-10-7-14(16(26-2)8-11(10)20)24-9-15(25)17(18(24)21)19-22-12-5-3-4-6-13(12)23-19/h3-8H,9,21H2,1-2H3,(H,22,23)

InChI Key

FTLYZRVXMQNIGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07801311

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

368.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.974

Distribution Coefficient, logD

3.974

Water Solubility, LogSw

-4.29

Polar Surface Area

63.320

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with D086-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D086-0332?
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What is the minimum amount of D086-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D086-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D086-0332
  • 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 D086-0332 available by request