D001-0035 Screening compound: N-(3-bromophenyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide

D001-0035 Screening compound: N-(3-bromophenyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
D001-0035 Screening compound: N-(3-bromophenyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D001-0035
N-(3-bromophenyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide

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

D001-0035

Molecular Formula

C17H14BrNO3 (C17 H14 BrNO3)

Compound Name

N-(3-bromophenyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide

IUPAC name

N-(3-bromophenyl)-3-methyl-1-oxo-34-dihydro-1H-2-benzopyran-3-carboxamide

SMILES

CC(Cc1c2cccc1)(C(Nc1cccc(Br)c1)=O)OC2=O

InChI

InChI=1S/C17H14BrNO3/c1-17(16(21)19-13-7-4-6-12(18)9-13)10-11-5-2-3-8-14(11)15(20)22-17/h2-9H,10H2,1H3,(H,19,21)/t17-/m0/s1

InChI Key

MDNKHFVWBALFED-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD04167206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.150

Distribution Coefficient, logD

4.149

Water Solubility, LogSw

-4.43

Polar Surface Area

43.451

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

D001-0035 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D001-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D001-0035?
Check Price and Availability of D001-0035, 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 D001-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D001-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D001-0035
  • 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 D001-0035 available by request