K061-0608 Screening compound: methyl 2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

K061-0608 Screening compound: methyl 2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
K061-0608 Screening compound: methyl 2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0608
methyl 2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-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

K061-0608

Molecular Formula

C16H17BrN4O5S (C16 H17 BrN4 O5 S)

Compound Name

methyl 2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

Cc(n(CC(Nc1c(C(OC)=O)c(CCCC2)c2s1)=O)nc1[N+]([O-])=O)c1Br

InChI

InChI=1S/C16H17BrN4O5S/c1-8-13(17)14(21(24)25)19-20(8)7-11(22)18-15-12(16(23)26-2)9-5-3-4-6-10(9)27-15/h3-7H2,1-2H3,(H,18,22)

InChI Key

BWTKHVKHLBPSSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01451934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.917

Distribution Coefficient, logD

0.570

Water Solubility, LogSw

-3.31

Polar Surface Area

91.296

Acid Dissociation Constant (pKa)

5.06

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with K061-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0608?
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What is the minimum amount of K061-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0608
  • 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 K061-0608 available by request