D011-0569 Screening compound: 4-{1-[(4-tert-butylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(4-fluorophenyl)pyrrolidin-2-one

D011-0569 Screening compound: 4-{1-[(4-tert-butylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(4-fluorophenyl)pyrrolidin-2-one
D011-0569 Screening compound: 4-{1-[(4-tert-butylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(4-fluorophenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-0569
4-{1-[(4-tert-butylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(4-fluorophenyl)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

D011-0569

Molecular Formula

C28H28FN3O (C28 H28 FN3 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c1ccc(Cn2c(cccc3)c3nc2C(CC2=O)CN2c(cc2)ccc2F)cc1

InChI

InChI=1S/C28H28FN3O/c1-28(2,3)21-10-8-19(9-11-21)17-32-25-7-5-4-6-24(25)30-27(32)20-16-26(33)31(18-20)23-14-12-22(29)13-15-23/h4-15,20H,16-18H2,1-3H3/t20-/m1/s1

InChI Key

YXHQMWQYJSAGAO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD07440869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

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

6.547

Distribution Coefficient, logD

6.547

Water Solubility, LogSw

-5.73

Polar Surface Area

26.645

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with D011-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-0569?
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What is the minimum amount of D011-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-0569
  • 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 D011-0569 available by request