8018-1183 Screening compound: methyl 2-benzyl-7-(4-tert-butylbenzenesulfonamido)-1,3-benzoxazole-5-carboxylate

8018-1183 Screening compound: methyl 2-benzyl-7-(4-tert-butylbenzenesulfonamido)-1,3-benzoxazole-5-carboxylate
8018-1183 Screening compound: methyl 2-benzyl-7-(4-tert-butylbenzenesulfonamido)-1,3-benzoxazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1183
methyl 2-benzyl-7-(4-tert-butylbenzenesulfonamido)-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

8018-1183

Molecular Formula

C26H26N2O5S (C26 H26 N2 O5 S)

Compound Name

methyl 2-benzyl-7-(4-tert-butylbenzenesulfonamido)-1,3-benzoxazole-5-carboxylate

IUPAC name

methyl 2-benzyl-7-(4-tert-butylbenzenesulfonamido)-13-benzoxazole-5-carboxylate

SMILES

CC(C)(C)c(cc1)ccc1S(Nc1c2oc(Cc3ccccc3)nc2cc(C(OC)=O)c1)(=O)=O

InChI

InChI=1S/C26H26N2O5S/c1-26(2,3)19-10-12-20(13-11-19)34(30,31)28-22-16-18(25(29)32-4)15-21-24(22)33-23(27-21)14-17-8-6-5-7-9-17/h5-13,15-16,28H,14H2,1-4H3

InChI Key

DXAKLFNWYJBFOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.347

Distribution Coefficient, logD

4.784

Water Solubility, LogSw

-5.57

Polar Surface Area

78.073

Acid Dissociation Constant (pKa)

5.85

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8018-1183 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8018-1183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1183?
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What is the minimum amount of 8018-1183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1183
  • 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 8018-1183 available by request