D580-1691 Screening compound: 2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(propan-2-yl)phenyl]acetamide

D580-1691 Screening compound: 2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(propan-2-yl)phenyl]acetamide
D580-1691 Screening compound: 2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D580-1691
2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(propan-2-yl)phenyl]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

D580-1691

Molecular Formula

C23H29N5O3S2 (C23 H29 N5 O3 S2)

Compound Name

2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(propan-2-yl)phenyl]acetamide

IUPAC name

2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-124-triazol-3-yl)sulfanyl]-N-[2-(propan-2-yl)phenyl]acetamide

SMILES

CC(C)c(cccc1)c1NC(CSc1nnc(CN(c2ccc(C)cc2)S(C)(=O)=O)n1C)=O

InChI

InChI=1S/C23H29N5O3S2/c1-16(2)19-8-6-7-9-20(19)24-22(29)15-32-23-26-25-21(27(23)4)14-28(33(5,30)31)18-12-10-17(3)11-13-18/h6-13,16H,14-15H2,1-5H3,(H,24,29)

InChI Key

AEZQOJDOGHTRHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.983

Distribution Coefficient, logD

2.983

Water Solubility, LogSw

-3.35

Polar Surface Area

80.068

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with D580-1691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D580-1691?
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What is the minimum amount of D580-1691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D580-1691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D580-1691
  • 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 D580-1691 available by request