1315-0144 Screening compound: N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide

1315-0144 Screening compound: N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide
1315-0144 Screening compound: N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1315-0144
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide

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

1315-0144

Molecular Formula

C21H14ClN3O5 (C21 H14 ClN3 O5)

Compound Name

N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide

IUPAC name

N-[2-(2-chlorophenyl)-13-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide

SMILES

COc(ccc(C(Nc(cc1)cc2c1oc(-c(cccc1)c1Cl)n2)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C21H14ClN3O5/c1-29-19-8-6-12(10-17(19)25(27)28)20(26)23-13-7-9-18-16(11-13)24-21(30-18)14-4-2-3-5-15(14)22/h2-11H,1H3,(H,23,26)

InChI Key

KFAVTCOUNVKAPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00581978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.81

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.452

Distribution Coefficient, logD

4.443

Water Solubility, LogSw

-4.60

Polar Surface Area

80.851

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

1315-0144 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 1315-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1315-0144?
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What is the minimum amount of 1315-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1315-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1315-0144
  • 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 1315-0144 available by request