3029-2085 Screening compound: N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dimethoxybenzamide

3029-2085 Screening compound: N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dimethoxybenzamide
3029-2085 Screening compound: N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3029-2085
N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dimethoxybenzamide

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

3029-2085

Molecular Formula

C22H17BrN2O4 (C22 H17 BrN2 O4)

Compound Name

N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dimethoxybenzamide

IUPAC name

N-[2-(4-bromophenyl)-13-benzoxazol-5-yl]-34-dimethoxybenzamide

SMILES

COc(ccc(C(Nc(cc1)cc2c1oc(-c(cc1)ccc1Br)n2)=O)c1)c1OC

InChI

InChI=1S/C22H17BrN2O4/c1-27-19-9-5-14(11-20(19)28-2)21(26)24-16-8-10-18-17(12-16)25-22(29-18)13-3-6-15(23)7-4-13/h3-12H,1-2H3,(H,24,26)

InChI Key

FGYOAWYAGUWJFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.005

Distribution Coefficient, logD

5.004

Water Solubility, LogSw

-4.82

Polar Surface Area

55.401

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3029-2085 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3029-2085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3029-2085?
Check Price and Availability of 3029-2085, 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 3029-2085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3029-2085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3029-2085
  • 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 3029-2085 available by request