D323-0429 Screening compound: 2-[1-(6-bromo-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-benzoxazole

D323-0429 Screening compound: 2-[1-(6-bromo-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-benzoxazole
D323-0429 Screening compound: 2-[1-(6-bromo-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D323-0429
2-[1-(6-bromo-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-benzoxazole

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

D323-0429

Molecular Formula

C22H19BrN2O3 (C22 H19 BrN2 O3)

Compound Name

2-[1-(6-bromo-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-benzoxazole

IUPAC name

2-[1-(6-bromo-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-13-benzoxazole

SMILES

Cc1c(C(N(CC2)CCC2c2nc(cccc3)c3o2)=O)oc2c1ccc(Br)c2

InChI

InChI=1S/C22H19BrN2O3/c1-13-16-7-6-15(23)12-19(16)27-20(13)22(26)25-10-8-14(9-11-25)21-24-17-4-2-3-5-18(17)28-21/h2-7,12,14H,8-11H2,1H3

InChI Key

JJNDHKXOMASEAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12915917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.822

Distribution Coefficient, logD

5.822

Water Solubility, LogSw

-5.65

Polar Surface Area

42.223

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D323-0429 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D323-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D323-0429?
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What is the minimum amount of D323-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D323-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D323-0429
  • 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 D323-0429 available by request