1140-0041 Screening compound: N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-3-iodobenzamide

1140-0041 Screening compound: N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-3-iodobenzamide
1140-0041 Screening compound: N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-3-iodobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1140-0041
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-3-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

1140-0041

Molecular Formula

C20H11ClFIN2O2 (C20 H11 ClFIN2 O2)

Compound Name

N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-3-iodobenzamide

IUPAC name

N-[2-(2-chloro-4-fluorophenyl)-13-benzoxazol-5-yl]-3-iodobenzamide

SMILES

O=C(c1cccc(I)c1)Nc(cc1)cc2c1oc(-c(ccc(F)c1)c1Cl)n2

InChI

InChI=1S/C20H11ClFIN2O2/c21-16-9-12(22)4-6-15(16)20-25-17-10-14(5-7-18(17)27-20)24-19(26)11-2-1-3-13(23)8-11/h1-10H,(H,24,26)

InChI Key

XAYOTPGCXMNSKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00702347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.276

Distribution Coefficient, logD

6.267

Water Solubility, LogSw

-6.46

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1140-0041 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 1140-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1140-0041?
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What is the minimum amount of 1140-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1140-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1140-0041
  • 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 1140-0041 available by request