1000-0971 Screening compound: 6-bromo-4-phenyl-3-{5-phenyl-1-[2-(piperidin-1-yl)acetyl]-4,5-dihydro-1H-pyrazol-3-yl}-1,2-dihydroquinolin-2-one

1000-0971 Screening compound: 6-bromo-4-phenyl-3-{5-phenyl-1-[2-(piperidin-1-yl)acetyl]-4,5-dihydro-1H-pyrazol-3-yl}-1,2-dihydroquinolin-2-one
1000-0971 Screening compound: 6-bromo-4-phenyl-3-{5-phenyl-1-[2-(piperidin-1-yl)acetyl]-4,5-dihydro-1H-pyrazol-3-yl}-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1000-0971
6-bromo-4-phenyl-3-{5-phenyl-1-[2-(piperidin-1-yl)acetyl]-4,5-dihydro-1H-pyrazol-3-yl}-1,2-dihydroquinolin-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

1000-0971

Molecular Formula

C31H29BrN4O2 (C31 H29 BrN4 O2)

Compound Name

6-bromo-4-phenyl-3-{5-phenyl-1-[2-(piperidin-1-yl)acetyl]-4,5-dihydro-1H-pyrazol-3-yl}-1,2-dihydroquinolin-2-one

IUPAC name

6-bromo-4-phenyl-3-{5-phenyl-1-[2-(piperidin-1-yl)acetyl]-45-dihydro-1H-pyrazol-3-yl}-12-dihydroquinolin-2-one

SMILES

O=C(CN1CCCCC1)N(C(C1)c2ccccc2)N=C1C1=C(c2ccccc2)c(cc(cc2)Br)c2NC1=O

InChI

InChI=1S/C31H29BrN4O2/c32-23-14-15-25-24(18-23)29(22-12-6-2-7-13-22)30(31(38)33-25)26-19-27(21-10-4-1-5-11-21)36(34-26)28(37)20-35-16-8-3-9-17-35/h1-2,4-7,10-15,18,27H,3,8-9,16-17,19-20H2,(H,33,38)/t27-/m1/s1

InChI Key

KDDJFCCNFMYHBZ-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD00656037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.961

Distribution Coefficient, logD

5.691

Water Solubility, LogSw

-5.89

Polar Surface Area

55.197

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.80

1000-0971 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1000-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1000-0971?
Check Price and Availability of 1000-0971, 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 1000-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1000-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1000-0971
  • 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 1000-0971 available by request