8018-1184 Screening compound: methyl 2-benzyl-7-(2,5-dimethylthiophene-3-sulfonamido)-1,3-benzoxazole-5-carboxylate

8018-1184 Screening compound: methyl 2-benzyl-7-(2,5-dimethylthiophene-3-sulfonamido)-1,3-benzoxazole-5-carboxylate
8018-1184 Screening compound: methyl 2-benzyl-7-(2,5-dimethylthiophene-3-sulfonamido)-1,3-benzoxazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1184
methyl 2-benzyl-7-(2,5-dimethylthiophene-3-sulfonamido)-1,3-benzoxazole-5-carboxylate

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

8018-1184

Molecular Formula

C22H20N2O5S2 (C22 H20 N2 O5 S2)

Compound Name

methyl 2-benzyl-7-(2,5-dimethylthiophene-3-sulfonamido)-1,3-benzoxazole-5-carboxylate

IUPAC name

methyl 2-benzyl-7-(25-dimethylthiophene-3-sulfonamido)-13-benzoxazole-5-carboxylate

SMILES

Cc1cc(S(Nc2c3oc(Cc4ccccc4)nc3cc(C(OC)=O)c2)(=O)=O)c(C)s1

InChI

InChI=1S/C22H20N2O5S2/c1-13-9-19(14(2)30-13)31(26,27)24-18-12-16(22(25)28-3)11-17-21(18)29-20(23-17)10-15-7-5-4-6-8-15/h4-9,11-12,24H,10H2,1-3H3

InChI Key

PTIRMUCRYFDVCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.079

Distribution Coefficient, logD

4.002

Water Solubility, LogSw

-4.96

Polar Surface Area

79.091

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8018-1184 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-1184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1184?
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What is the minimum amount of 8018-1184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1184
  • 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 8018-1184 available by request