3291-1852 Screening compound: 2-cyclohexyl-5-[(2-cyclohexyl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole

3291-1852 Screening compound: 2-cyclohexyl-5-[(2-cyclohexyl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole
3291-1852 Screening compound: 2-cyclohexyl-5-[(2-cyclohexyl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3291-1852
2-cyclohexyl-5-[(2-cyclohexyl-1,3-benzoxazol-5-yl)methyl]-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

3291-1852

Molecular Formula

C27H30N2O2 (C27 H30 N2 O2)

Compound Name

2-cyclohexyl-5-[(2-cyclohexyl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole

IUPAC name

2-cyclohexyl-5-[(2-cyclohexyl-13-benzoxazol-5-yl)methyl]-13-benzoxazole

SMILES

C(c(cc1)cc2c1oc(C1CCCCC1)n2)c(cc1)cc2c1oc(C1CCCCC1)n2

InChI

InChI=1S/C27H30N2O2/c1-3-7-20(8-4-1)26-28-22-16-18(11-13-24(22)30-26)15-19-12-14-25-23(17-19)29-27(31-25)21-9-5-2-6-10-21/h11-14,16-17,20-21H,1-10,15H2

InChI Key

NALIBHUOMSMHKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02031489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.942

Distribution Coefficient, logD

7.942

Water Solubility, LogSw

-6.15

Polar Surface Area

33.972

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

3291-1852 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3291-1852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3291-1852?
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What is the minimum amount of 3291-1852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3291-1852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3291-1852
  • 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 3291-1852 available by request