7888-0459 Screening compound: 3-chloro-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide

7888-0459 Screening compound: 3-chloro-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide
7888-0459 Screening compound: 3-chloro-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7888-0459
3-chloro-N-[2-methyl-5-(5-methyl-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

7888-0459

Molecular Formula

C24H16ClN3O4S (C24 H16 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1oc(-c1cc(NC(c(sc3c4cccc3[N+]([O-])=O)c4Cl)=O)c(C)cc1)n2

InChI

InChI=1S/C24H16ClN3O4S/c1-12-6-9-19-17(10-12)27-24(32-19)14-8-7-13(2)16(11-14)26-23(29)22-20(25)15-4-3-5-18(28(30)31)21(15)33-22/h3-11H,1-2H3,(H,26,29)

InChI Key

NLWQEWKUJIKBGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07086838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.637

Distribution Coefficient, logD

6.637

Water Solubility, LogSw

-6.57

Polar Surface Area

73.269

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 7888-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7888-0459?
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What is the minimum amount of 7888-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7888-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7888-0459
  • 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 7888-0459 available by request