1140-0146 Screening compound: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide

1140-0146 Screening compound: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide
1140-0146 Screening compound: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1140-0146
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide

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

1140-0146

Molecular Formula

C24H21IN2O2 (C24 H21 IN2 O2)

Compound Name

N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide

IUPAC name

N-[2-(4-tert-butylphenyl)-13-benzoxazol-5-yl]-2-iodobenzamide

SMILES

CC(C)(C)c(cc1)ccc1-c1nc(cc(cc2)NC(c(cccc3)c3I)=O)c2o1

InChI

InChI=1S/C24H21IN2O2/c1-24(2,3)16-10-8-15(9-11-16)23-27-20-14-17(12-13-21(20)29-23)26-22(28)18-6-4-5-7-19(18)25/h4-14H,1-3H3,(H,26,28)

InChI Key

JKBWXXWQRGBRSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00702425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.35

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

6.740

Distribution Coefficient, logD

6.730

Water Solubility, LogSw

-5.65

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1140-0146 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1140-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1140-0146?
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What is the minimum amount of 1140-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1140-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1140-0146
  • 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 1140-0146 available by request