2260-8087 Screening compound: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

2260-8087 Screening compound: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
2260-8087 Screening compound: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2260-8087
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-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

2260-8087

Molecular Formula

C24H26ClN3O3S (C24 H26 ClN3 O3 S)

Compound Name

N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

IUPAC name

N-(6-tert-butyl-3-carbamoyl-4567-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-12-oxazole-4-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N)=O)c(NC(c1c(C)onc1-c(cccc1)c1Cl)=O)s2

InChI

InChI=1S/C24H26ClN3O3S/c1-12-18(20(28-31-12)14-7-5-6-8-16(14)25)22(30)27-23-19(21(26)29)15-10-9-13(24(2,3)4)11-17(15)32-23/h5-8,13H,9-11H2,1-4H3,(H2,26,29)(H,27,30)/t13-/m1/s1

InChI Key

XNLZAPRWPJIGOT-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD01343641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.383

Distribution Coefficient, logD

2.663

Water Solubility, LogSw

-4.78

Polar Surface Area

79.064

Acid Dissociation Constant (pKa)

5.69

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

2260-8087 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2260-8087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2260-8087?
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What is the minimum amount of 2260-8087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2260-8087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2260-8087
  • 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 2260-8087 available by request