8015-3538 Screening compound: 3-{2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetamido}-3-(4-methoxyphenyl)propanoic acid

8015-3538 Screening compound: 3-{2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetamido}-3-(4-methoxyphenyl)propanoic acid
8015-3538 Screening compound: 3-{2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetamido}-3-(4-methoxyphenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3538
3-{2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetamido}-3-(4-methoxyphenyl)propanoic 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

8015-3538

Molecular Formula

C14H17N5O4S (C14 H17 N5 O4 S)

Compound Name

3-{2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetamido}-3-(4-methoxyphenyl)propanoic acid

IUPAC name

3-{2-[(3-amino-1H-124-triazol-5-yl)sulfanyl]acetamido}-3-(4-methoxyphenyl)propanoic acid

SMILES

COc1ccc(C(CC(O)=O)NC(CSc2nc(N)n[nH]2)=O)cc1

InChI

InChI=1S/C14H17N5O4S/c1-23-9-4-2-8(3-5-9)10(6-12(21)22)16-11(20)7-24-14-17-13(15)18-19-14/h2-5,10H,6-7H2,1H3,(H,16,20)(H,21,22)(H3,15,17,18,19)/t10-/m0/s1

InChI Key

XMGACUPBWMKXJG-JTQLQIEISA-N

MDL Number (MFCD)

MFCD04060900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.129

Distribution Coefficient, logD

-2.508

Water Solubility, LogSw

-2.08

Polar Surface Area

113.241

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

8015-3538 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 8015-3538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3538?
Check Price and Availability of 8015-3538, 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 8015-3538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3538
  • 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 8015-3538 available by request