6136-0073 Screening compound: 4-bromo-N-(4-{[(3,4-dihydro-1H-isochromen-1-ylmethyl)amino]carbonyl}phenyl)benzamide

6136-0073 Screening compound: 4-bromo-N-(4-{[(3,4-dihydro-1H-isochromen-1-ylmethyl)amino]carbonyl}phenyl)benzamide
6136-0073 Screening compound: 4-bromo-N-(4-{[(3,4-dihydro-1H-isochromen-1-ylmethyl)amino]carbonyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6136-0073
4-bromo-N-(4-{[(3,4-dihydro-1H-isochromen-1-ylmethyl)amino]carbonyl}phenyl)benzamide

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

6136-0073

Molecular Formula

C24H21BrN2O3 (C24 H21 BrN2 O3)

Compound Name

4-bromo-N-(4-{[(3,4-dihydro-1H-isochromen-1-ylmethyl)amino]carbonyl}phenyl)benzamide

IUPAC name

4-bromo-N-(4-{[(34-dihydro-1H-2-benzopyran-1-yl)methyl]carbamoyl}phenyl)benzamide

SMILES

O=C(c(cc1)ccc1NC(c(cc1)ccc1Br)=O)NCC1OCCc2c1cccc2

InChI

InChI=1S/C24H21BrN2O3/c25-19-9-5-18(6-10-19)24(29)27-20-11-7-17(8-12-20)23(28)26-15-22-21-4-2-1-3-16(21)13-14-30-22/h1-12,22H,13-15H2,(H,26,28)(H,27,29)/t22-/m0/s1

InChI Key

FSOZWFKGTOVNRO-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD07023124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.511

Distribution Coefficient, logD

4.429

Water Solubility, LogSw

-4.59

Polar Surface Area

56.376

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

6136-0073 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6136-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6136-0073?
Check Price and Availability of 6136-0073, 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 6136-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6136-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6136-0073
  • 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 6136-0073 available by request