3021-0064 Screening compound: 1-[(4-sulfamoylphenyl)carbamoyl]propyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate

3021-0064 Screening compound: 1-[(4-sulfamoylphenyl)carbamoyl]propyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate
3021-0064 Screening compound: 1-[(4-sulfamoylphenyl)carbamoyl]propyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3021-0064
1-[(4-sulfamoylphenyl)carbamoyl]propyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate

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

3021-0064

Molecular Formula

C22H27N3O6S2 (C22 H27 N3 O6 S2)

Compound Name

1-[(4-sulfamoylphenyl)carbamoyl]propyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate

IUPAC name

1-[(4-sulfamoylphenyl)carbamoyl]propyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate

SMILES

CCC(C(Nc(cc1)ccc1S(N)(=O)=O)=O)OC(C(CCSC)NC(c1ccccc1)=O)=O

InChI

InChI=1S/C22H27N3O6S2/c1-3-19(21(27)24-16-9-11-17(12-10-16)33(23,29)30)31-22(28)18(13-14-32-2)25-20(26)15-7-5-4-6-8-15/h4-12,18-19H,3,13-14H2,1-2H3,(H,24,27)(H,25,26)(H2,23,29,30)

InChI Key

SJJHJPKLIXLVHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02224036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.727

Distribution Coefficient, logD

1.725

Water Solubility, LogSw

-2.28

Polar Surface Area

118.550

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

3021-0064 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3021-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3021-0064?
Check Price and Availability of 3021-0064, 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 3021-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3021-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3021-0064
  • 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 3021-0064 available by request