4410-4677 Screening compound: 5-bromo-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide

4410-4677 Screening compound: 5-bromo-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
4410-4677 Screening compound: 5-bromo-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4410-4677
5-bromo-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-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

4410-4677

Molecular Formula

C20H14BrClN2O3 (C20 H14 BrClN2 O3)

Compound Name

5-bromo-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide

IUPAC name

5-bromo-N-[4-chloro-3-(57-dimethyl-13-benzoxazol-2-yl)phenyl]furan-2-carboxamide

SMILES

Cc(cc1C)cc2c1oc(-c(cc(cc1)NC(c(o3)ccc3Br)=O)c1Cl)n2

InChI

InChI=1S/C20H14BrClN2O3/c1-10-7-11(2)18-15(8-10)24-20(27-18)13-9-12(3-4-14(13)22)23-19(25)16-5-6-17(21)26-16/h3-9H,1-2H3,(H,23,25)

InChI Key

DQGWAOGLIKAYCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02908557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.132

Distribution Coefficient, logD

6.110

Water Solubility, LogSw

-6.18

Polar Surface Area

49.299

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4410-4677 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4410-4677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4410-4677?
Check Price and Availability of 4410-4677, 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 4410-4677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4410-4677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4410-4677
  • 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 4410-4677 available by request