6466-1257 Screening compound: butan-2-yl 2-{[1,2,4]triazolo[1,5-a]pyrimidine-2-amido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

6466-1257 Screening compound: butan-2-yl 2-{[1,2,4]triazolo[1,5-a]pyrimidine-2-amido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
6466-1257 Screening compound: butan-2-yl 2-{[1,2,4]triazolo[1,5-a]pyrimidine-2-amido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-1257
butan-2-yl 2-{[1,2,4]triazolo[1,5-a]pyrimidine-2-amido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

6466-1257

Molecular Formula

C19H21N5O3S (C19 H21 N5 O3 S)

Compound Name

butan-2-yl 2-{[1,2,4]triazolo[1,5-a]pyrimidine-2-amido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

butan-2-yl 2-{[124]triazolo[15-a]pyrimidine-2-amido}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCC(C)OC(c1c(NC(c2nn(cccn3)c3n2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C19H21N5O3S/c1-3-11(2)27-18(26)14-12-7-4-5-8-13(12)28-17(14)22-16(25)15-21-19-20-9-6-10-24(19)23-15/h6,9-11H,3-5,7-8H2,1-2H3,(H,22,25)/t11-/m0/s1

InChI Key

WJTGQIBXOKYUCI-NSHDSACASA-N

MDL Number (MFCD)

MFCD03043338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.204

Distribution Coefficient, logD

-0.384

Water Solubility, LogSw

-3.62

Polar Surface Area

74.978

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

6466-1257 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6466-1257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-1257?
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What is the minimum amount of 6466-1257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-1257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-1257
  • 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 6466-1257 available by request