P048-1491 Screening compound: methyl 2-[N-(2,3-dihydro-1,4-benzodioxin-6-yl)3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate

P048-1491 Screening compound: methyl 2-[N-(2,3-dihydro-1,4-benzodioxin-6-yl)3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate
P048-1491 Screening compound: methyl 2-[N-(2,3-dihydro-1,4-benzodioxin-6-yl)3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound P048-1491
methyl 2-[N-(2,3-dihydro-1,4-benzodioxin-6-yl)3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate

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

P048-1491

Molecular Formula

C18H18N4O6S (C18 H18 N4 O6 S)

Compound Name

methyl 2-[N-(2,3-dihydro-1,4-benzodioxin-6-yl)3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate

IUPAC name

methyl 2-[N-(23-dihydro-14-benzodioxin-6-yl)3-methyl-[124]triazolo[43-a]pyridine-6-sulfonamido]acetate

SMILES

Cc1nnc(cc2)n1cc2S(N(CC(OC)=O)c(cc1)cc2c1OCCO2)(=O)=O

InChI

InChI=1S/C18H18N4O6S/c1-12-19-20-17-6-4-14(10-21(12)17)29(24,25)22(11-18(23)26-2)13-3-5-15-16(9-13)28-8-7-27-15/h3-6,9-10H,7-8,11H2,1-2H3

InChI Key

KQZIKAMWAHOHRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.035

Distribution Coefficient, logD

-0.035

Water Solubility, LogSw

-2.18

Polar Surface Area

90.746

Acid Dissociation Constant (pKa)

19.92

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with P048-1491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P048-1491?
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What is the minimum amount of P048-1491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P048-1491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P048-1491
  • 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 P048-1491 available by request