C667-0086 Screening compound: N-(2-methoxyphenyl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide

C667-0086 Screening compound: N-(2-methoxyphenyl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide
C667-0086 Screening compound: N-(2-methoxyphenyl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C667-0086
N-(2-methoxyphenyl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide

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

C667-0086

Molecular Formula

C20H23N3O6S2 (C20 H23 N3 O6 S2)

Compound Name

N-(2-methoxyphenyl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide

IUPAC name

N-(2-methoxyphenyl)-2-(3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide

SMILES

CN(c(ccc(S(NC(CCSC)C(Nc(cccc1)c1OC)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C20H23N3O6S2/c1-23-16-9-8-13(12-18(16)29-20(23)25)31(26,27)22-15(10-11-30-3)19(24)21-14-6-4-5-7-17(14)28-2/h4-9,12,15,22H,10-11H2,1-3H3,(H,21,24)/t15-/m0/s1

InChI Key

AOAZJWHLJSBATJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14780752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.699

Distribution Coefficient, logD

2.698

Water Solubility, LogSw

-3.38

Polar Surface Area

95.002

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

C667-0086 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 C667-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C667-0086?
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What is the minimum amount of C667-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C667-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C667-0086
  • 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 C667-0086 available by request