D583-0683 Screening compound: N-cyclohexyl-N-methyl-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

D583-0683 Screening compound: N-cyclohexyl-N-methyl-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
D583-0683 Screening compound: N-cyclohexyl-N-methyl-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-0683
N-cyclohexyl-N-methyl-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

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

D583-0683

Molecular Formula

C20H29N5O3S2 (C20 H29 N5 O3 S2)

Compound Name

N-cyclohexyl-N-methyl-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

IUPAC name

N-cyclohexyl-N-methyl-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

CN(C1CCCCC1)C(CSc1nnc(CN(c2ccccc2)S(C)(=O)=O)n1C)=O

InChI

InChI=1S/C20H29N5O3S2/c1-23(16-10-6-4-7-11-16)19(26)15-29-20-22-21-18(24(20)2)14-25(30(3,27)28)17-12-8-5-9-13-17/h5,8-9,12-13,16H,4,6-7,10-11,14-15H2,1-3H3

InChI Key

WQAGOCHPKXHSNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.935

Distribution Coefficient, logD

1.935

Water Solubility, LogSw

-2.36

Polar Surface Area

72.563

Acid Dissociation Constant (pKa)

20.23

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

D583-0683 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D583-0683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-0683?
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What is the minimum amount of D583-0683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-0683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-0683
  • 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 D583-0683 available by request