D086-0158 Screening compound: 5-amino-1-(4-chloro-2-fluorophenyl)-4-(6-methyl-1H-1,3-benzodiazol-2-yl)-2,3-dihydro-1H-pyrrol-3-one

D086-0158 Screening compound: 5-amino-1-(4-chloro-2-fluorophenyl)-4-(6-methyl-1H-1,3-benzodiazol-2-yl)-2,3-dihydro-1H-pyrrol-3-one
D086-0158 Screening compound: 5-amino-1-(4-chloro-2-fluorophenyl)-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 D086-0158
5-amino-1-(4-chloro-2-fluorophenyl)-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

D086-0158

Molecular Formula

C18H14ClFN4O (C18 H14 ClFN4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1nc(C(C(C1)=O)=C(N)N1c(ccc(Cl)c1)c1F)[nH]2

InChI

InChI=1S/C18H14ClFN4O/c1-9-2-4-12-13(6-9)23-18(22-12)16-15(25)8-24(17(16)21)14-5-3-10(19)7-11(14)20/h2-7H,8,21H2,1H3,(H,22,23)

InChI Key

DHROUYIZGCMPIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08143308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.79

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.625

Distribution Coefficient, logD

3.625

Water Solubility, LogSw

-3.98

Polar Surface Area

55.689

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with D086-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D086-0158?
Check Price and Availability of D086-0158, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D086-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D086-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D086-0158
  • 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 D086-0158 available by request