D011-3299 Screening compound: 1-(2-fluorophenyl)-4-(1-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one

D011-3299 Screening compound: 1-(2-fluorophenyl)-4-(1-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one
D011-3299 Screening compound: 1-(2-fluorophenyl)-4-(1-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-3299
1-(2-fluorophenyl)-4-(1-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-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

D011-3299

Molecular Formula

C27H26FN3O (C27 H26 FN3 O)

Compound Name

1-(2-fluorophenyl)-4-(1-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one

IUPAC name

1-(2-fluorophenyl)-4-(1-{[4-(propan-2-yl)phenyl]methyl}-1H-13-benzodiazol-2-yl)pyrrolidin-2-one

SMILES

CC(C)c1ccc(Cn2c(cccc3)c3nc2C(CC2=O)CN2c(cccc2)c2F)cc1

InChI

InChI=1S/C27H26FN3O/c1-18(2)20-13-11-19(12-14-20)16-31-25-10-6-4-8-23(25)29-27(31)21-15-26(32)30(17-21)24-9-5-3-7-22(24)28/h3-14,18,21H,15-17H2,1-2H3/t21-/m1/s1

InChI Key

XBQWMTRCXBEZCQ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD07413877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.038

Distribution Coefficient, logD

6.038

Water Solubility, LogSw

-5.52

Polar Surface Area

26.344

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with D011-3299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-3299?
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What is the minimum amount of D011-3299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-3299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-3299
  • 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 D011-3299 available by request