1550-1128 Screening compound: N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-3-fluorobenzamide

1550-1128 Screening compound: N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-3-fluorobenzamide
1550-1128 Screening compound: N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1550-1128
N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-3-fluorobenzamide

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

1550-1128

Molecular Formula

C20H11ClFIN2O2 (C20 H11 ClFIN2 O2)

Compound Name

N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-3-fluorobenzamide

IUPAC name

N-[2-(2-chloro-5-iodophenyl)-13-benzoxazol-5-yl]-3-fluorobenzamide

SMILES

O=C(c1cc(F)ccc1)Nc(cc1)cc2c1oc(-c(cc(cc1)I)c1Cl)n2

InChI

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

InChI Key

IVBSIOFUIOQJMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246224

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

6.707

Distribution Coefficient, logD

6.697

Water Solubility, LogSw

-6.70

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1550-1128 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1550-1128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1550-1128?
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What is the minimum amount of 1550-1128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1550-1128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1550-1128
  • 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 1550-1128 available by request