C301-9497 Screening compound: 3-[4-(benzylamino)-2-oxo-2H-chromen-3-yl]-1-(3-chlorophenyl)urea

C301-9497 Screening compound: 3-[4-(benzylamino)-2-oxo-2H-chromen-3-yl]-1-(3-chlorophenyl)urea
C301-9497 Screening compound: 3-[4-(benzylamino)-2-oxo-2H-chromen-3-yl]-1-(3-chlorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9497
3-[4-(benzylamino)-2-oxo-2H-chromen-3-yl]-1-(3-chlorophenyl)urea

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

C301-9497

Molecular Formula

C23H18ClN3O3 (C23 H18 ClN3 O3)

Compound Name

3-[4-(benzylamino)-2-oxo-2H-chromen-3-yl]-1-(3-chlorophenyl)urea

IUPAC name

3-[4-(benzylamino)-2-oxo-2H-chromen-3-yl]-1-(3-chlorophenyl)urea

SMILES

O=C(Nc1cccc(Cl)c1)NC(C(Oc1c2cccc1)=O)=C2NCc1ccccc1

InChI

InChI=1S/C23H18ClN3O3/c24-16-9-6-10-17(13-16)26-23(29)27-21-20(25-14-15-7-2-1-3-8-15)18-11-4-5-12-19(18)30-22(21)28/h1-13,25H,14H2,(H2,26,27,29)

InChI Key

ZXEPEQCONJPNPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.668

Distribution Coefficient, logD

4.193

Water Solubility, LogSw

-4.99

Polar Surface Area

64.096

Acid Dissociation Constant (pKa)

7.10

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

C301-9497 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C301-9497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9497?
Check Price and Availability of C301-9497, 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 C301-9497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9497
  • 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 C301-9497 available by request