1000-1367 Screening compound: 6-bromo-3-[1-(2-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one

1000-1367 Screening compound: 6-bromo-3-[1-(2-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one
1000-1367 Screening compound: 6-bromo-3-[1-(2-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1000-1367
6-bromo-3-[1-(2-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-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

1000-1367

Molecular Formula

C31H21Br2N3O2 (C31 H21 Br2 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1Br)N(C(C1)c2ccccc2)N=C1C1=C(c2ccccc2)c(cc(cc2)Br)c2NC1=O

InChI

InChI=1S/C31H21Br2N3O2/c32-21-15-16-25-23(17-21)28(20-11-5-2-6-12-20)29(30(37)34-25)26-18-27(19-9-3-1-4-10-19)36(35-26)31(38)22-13-7-8-14-24(22)33/h1-17,27H,18H2,(H,34,37)/t27-/m0/s1

InChI Key

ZYVJBAACUBAQHC-MHZLTWQESA-N

MDL Number (MFCD)

MFCD00182347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

627.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.378

Distribution Coefficient, logD

7.341

Water Solubility, LogSw

-6.15

Polar Surface Area

51.721

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.50

1000-1367 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 1000-1367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1000-1367?
Check Price and Availability of 1000-1367, 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 1000-1367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1000-1367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1000-1367
  • 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 1000-1367 available by request