C562-1641 Screening compound: N-cycloheptyl-3-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)butanamide

C562-1641 Screening compound: N-cycloheptyl-3-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)butanamide
C562-1641 Screening compound: N-cycloheptyl-3-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C562-1641
N-cycloheptyl-3-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)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

C562-1641

Molecular Formula

C20H29N3O5S (C20 H29 N3 O5 S)

Compound Name

N-cycloheptyl-3-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)butanamide

IUPAC name

N-cycloheptyl-3-methyl-2-(3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamido)butanamide

SMILES

CC(C)C(C(NC1CCCCCC1)=O)NS(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C20H29N3O5S/c1-13(2)18(19(24)21-14-8-6-4-5-7-9-14)22-29(26,27)15-10-11-16-17(12-15)28-20(25)23(16)3/h10-14,18,22H,4-9H2,1-3H3,(H,21,24)/t18-/m0/s1

InChI Key

OCYPHPADQHLZTF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14772089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.404

Distribution Coefficient, logD

3.404

Water Solubility, LogSw

-4.12

Polar Surface Area

89.169

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

C562-1641 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 C562-1641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C562-1641?
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What is the minimum amount of C562-1641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C562-1641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C562-1641
  • 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 C562-1641 available by request