D583-1630 Screening compound: 2-[2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoic acid

D583-1630 Screening compound: 2-[2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoic acid
D583-1630 Screening compound: 2-[2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-1630
2-[2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoic acid

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

D583-1630

Molecular Formula

C20H21N5O5S2 (C20 H21 N5 O5 S2)

Compound Name

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

IUPAC name

2-[2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-124-triazol-3-yl}sulfanyl)acetamido]benzoic acid

SMILES

Cn1c(SCC(Nc(cccc2)c2C(O)=O)=O)nnc1CN(c1ccccc1)S(C)(=O)=O

InChI

InChI=1S/C20H21N5O5S2/c1-24-17(12-25(32(2,29)30)14-8-4-3-5-9-14)22-23-20(24)31-13-18(26)21-16-11-7-6-10-15(16)19(27)28/h3-11H,12-13H2,1-2H3,(H,21,26)(H,27,28)

InChI Key

XDECODSTCPUYQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.817

Distribution Coefficient, logD

-2.596

Water Solubility, LogSw

-2.73

Polar Surface Area

108.476

Acid Dissociation Constant (pKa)

2.99

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D583-1630 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D583-1630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-1630?
Check Price and Availability of D583-1630, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D583-1630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-1630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-1630
  • 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 D583-1630 available by request