3729-3082 Screening compound: 3-bromo-N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide

3729-3082 Screening compound: 3-bromo-N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
3729-3082 Screening compound: 3-bromo-N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-3082
3-bromo-N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide

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

3729-3082

Molecular Formula

C25H23BrN2O3 (C25 H23 BrN2 O3)

Compound Name

3-bromo-N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide

IUPAC name

3-bromo-N-[2-(4-tert-butylphenyl)-13-benzoxazol-5-yl]-4-methoxybenzamide

SMILES

CC(C)(C)c(cc1)ccc1-c1nc(cc(cc2)NC(c(cc3)cc(Br)c3OC)=O)c2o1

InChI

InChI=1S/C25H23BrN2O3/c1-25(2,3)17-8-5-15(6-9-17)24-28-20-14-18(10-12-22(20)31-24)27-23(29)16-7-11-21(30-4)19(26)13-16/h5-14H,1-4H3,(H,27,29)

InChI Key

SSSVRMZVYVNRJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01078770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.979

Distribution Coefficient, logD

6.974

Water Solubility, LogSw

-5.74

Polar Surface Area

47.770

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3729-3082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-3082?
Check Price and Availability of 3729-3082, 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 3729-3082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-3082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-3082
  • 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 3729-3082 available by request