C667-0024 Screening compound: N-cyclopentyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide

C667-0024 Screening compound: N-cyclopentyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide
C667-0024 Screening compound: N-cyclopentyl-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 C667-0024
N-cyclopentyl-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

C667-0024

Molecular Formula

C18H25N3O5S2 (C18 H25 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(S(NC(CCSC)C(NC1CCCC1)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C18H25N3O5S2/c1-21-15-8-7-13(11-16(15)26-18(21)23)28(24,25)20-14(9-10-27-2)17(22)19-12-5-3-4-6-12/h7-8,11-12,14,20H,3-6,9-10H2,1-2H3,(H,19,22)/t14-/m0/s1

InChI Key

YVELNNLLHIAFHU-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14780730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.437

Distribution Coefficient, logD

2.437

Water Solubility, LogSw

-2.99

Polar Surface Area

89.483

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

C667-0024 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C667-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C667-0024?
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What is the minimum amount of C667-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C667-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C667-0024
  • 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 C667-0024 available by request