1140-0086 Screening compound: N-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide

1140-0086 Screening compound: N-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide
1140-0086 Screening compound: N-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1140-0086
N-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide

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

1140-0086

Molecular Formula

C25H24N2O2 (C25 H24 N2 O2)

Compound Name

N-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide

IUPAC name

N-[4-(5-tert-butyl-13-benzoxazol-2-yl)phenyl]-3-methylbenzamide

SMILES

CC(C)(C)c(cc1)cc2c1oc(-c(cc1)ccc1NC(c1cc(C)ccc1)=O)n2

InChI

InChI=1S/C25H24N2O2/c1-16-6-5-7-18(14-16)23(28)26-20-11-8-17(9-12-20)24-27-21-15-19(25(2,3)4)10-13-22(21)29-24/h5-15H,1-4H3,(H,26,28)

InChI Key

RCXOLMCYOIDDAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.335

Distribution Coefficient, logD

6.335

Water Solubility, LogSw

-5.56

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

1140-0086 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 1140-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1140-0086?
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What is the minimum amount of 1140-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1140-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1140-0086
  • 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 1140-0086 available by request