1688-0091 Screening compound: 2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-5-iodobenzamide

1688-0091 Screening compound: 2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-5-iodobenzamide
1688-0091 Screening compound: 2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-5-iodobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1688-0091
2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-5-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

1688-0091

Molecular Formula

C20H11Cl2IN2O2 (C20 H11 Cl2 IN2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc(cc1)I)c1Cl)Nc1cc(-c2nc(cc(cc3)Cl)c3o2)ccc1

InChI

InChI=1S/C20H11Cl2IN2O2/c21-12-4-7-18-17(9-12)25-20(27-18)11-2-1-3-14(8-11)24-19(26)15-10-13(23)5-6-16(15)22/h1-10H,(H,24,26)

InChI Key

XSDAEXAUEYMEKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01040396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.13

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

7.332

Distribution Coefficient, logD

7.331

Water Solubility, LogSw

-6.76

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1688-0091 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 1688-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1688-0091?
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What is the minimum amount of 1688-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1688-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1688-0091
  • 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 1688-0091 available by request