3820-6321 Screening compound: N-[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]pentanamide

3820-6321 Screening compound: N-[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]pentanamide
3820-6321 Screening compound: N-[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3820-6321
N-[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]pentanamide

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

3820-6321

Molecular Formula

C19H19BrN2O2 (C19 H19 BrN2 O2)

Compound Name

N-[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]pentanamide

IUPAC name

N-[2-(4-bromo-3-methylphenyl)-13-benzoxazol-5-yl]pentanamide

SMILES

CCCCC(Nc(cc1)cc2c1oc(-c(cc1)cc(C)c1Br)n2)=O

InChI

InChI=1S/C19H19BrN2O2/c1-3-4-5-18(23)21-14-7-9-17-16(11-14)22-19(24-17)13-6-8-15(20)12(2)10-13/h6-11H,3-5H2,1-2H3,(H,21,23)

InChI Key

SDYUVGMGYRJTBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.328

Distribution Coefficient, logD

5.328

Water Solubility, LogSw

-5.22

Polar Surface Area

40.198

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 3820-6321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3820-6321?
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What is the minimum amount of 3820-6321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3820-6321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3820-6321
  • 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 3820-6321 available by request