1688-0054 Screening compound: 2-chloro-5-iodo-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

1688-0054 Screening compound: 2-chloro-5-iodo-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
1688-0054 Screening compound: 2-chloro-5-iodo-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1688-0054
2-chloro-5-iodo-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

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

1688-0054

Molecular Formula

C22H16ClIN2O2 (C22 H16 ClIN2 O2)

Compound Name

2-chloro-5-iodo-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

IUPAC name

2-chloro-5-iodo-N-[2-methyl-5-(6-methyl-13-benzoxazol-2-yl)phenyl]benzamide

SMILES

Cc(cc1)cc2c1nc(-c1cc(NC(c(cc(cc3)I)c3Cl)=O)c(C)cc1)o2

InChI

InChI=1S/C22H16ClIN2O2/c1-12-3-8-18-20(9-12)28-22(26-18)14-5-4-13(2)19(10-14)25-21(27)16-11-15(24)6-7-17(16)23/h3-11H,1-2H3,(H,25,27)

InChI Key

XZNRQTHCRJPLRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01040361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.74

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

7.164

Distribution Coefficient, logD

7.163

Water Solubility, LogSw

-6.45

Polar Surface Area

39.442

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 1688-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1688-0054?
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What is the minimum amount of 1688-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1688-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1688-0054
  • 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 1688-0054 available by request