2999-1740 Screening compound: N-[2-(3-cyclohexaneamidophenyl)-1,3-benzoxazol-5-yl]cyclohexanecarboxamide

2999-1740 Screening compound: N-[2-(3-cyclohexaneamidophenyl)-1,3-benzoxazol-5-yl]cyclohexanecarboxamide
2999-1740 Screening compound: N-[2-(3-cyclohexaneamidophenyl)-1,3-benzoxazol-5-yl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2999-1740
N-[2-(3-cyclohexaneamidophenyl)-1,3-benzoxazol-5-yl]cyclohexanecarboxamide

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

2999-1740

Molecular Formula

C27H31N3O3 (C27 H31 N3 O3)

Compound Name

N-[2-(3-cyclohexaneamidophenyl)-1,3-benzoxazol-5-yl]cyclohexanecarboxamide

IUPAC name

N-[2-(3-cyclohexaneamidophenyl)-13-benzoxazol-5-yl]cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)Nc(cc1)cc2c1oc(-c1cccc(NC(C3CCCCC3)=O)c1)n2

InChI

InChI=1S/C27H31N3O3/c31-25(18-8-3-1-4-9-18)28-21-13-7-12-20(16-21)27-30-23-17-22(14-15-24(23)33-27)29-26(32)19-10-5-2-6-11-19/h7,12-19H,1-6,8-11H2,(H,28,31)(H,29,32)

InChI Key

YYIKDLKCWXBHPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01893066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.805

Distribution Coefficient, logD

5.805

Water Solubility, LogSw

-5.80

Polar Surface Area

63.615

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

2999-1740 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2999-1740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2999-1740?
Check Price and Availability of 2999-1740, 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 2999-1740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2999-1740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2999-1740
  • 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 2999-1740 available by request