8377-1241 Screening compound: 3-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide

8377-1241 Screening compound: 3-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide
8377-1241 Screening compound: 3-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8377-1241
3-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide

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

8377-1241

Molecular Formula

C23H14ClN3O5S (C23 H14 ClN3 O5 S)

Compound Name

3-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-[3-(5-methoxy-13-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide

SMILES

COc(cc1)cc2c1oc(-c1cccc(NC(c(sc3c4cccc3[N+]([O-])=O)c4Cl)=O)c1)n2

InChI

InChI=1S/C23H14ClN3O5S/c1-31-14-8-9-18-16(11-14)26-23(32-18)12-4-2-5-13(10-12)25-22(28)21-19(24)15-6-3-7-17(27(29)30)20(15)33-21/h2-11H,1H3,(H,25,28)

InChI Key

SBILVVJBITVAMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07144336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.9

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

6.240

Distribution Coefficient, logD

6.240

Water Solubility, LogSw

-6.47

Polar Surface Area

81.511

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

8377-1241 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8377-1241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8377-1241?
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What is the minimum amount of 8377-1241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8377-1241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8377-1241
  • 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 8377-1241 available by request