D627-0061 Screening compound: 3-[3-{[4-(3-chlorophenyl)piperazino]carbonyl}-5-(2-thienyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D627-0061 Screening compound: 3-[3-{[4-(3-chlorophenyl)piperazino]carbonyl}-5-(2-thienyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D627-0061 Screening compound: 3-[3-{[4-(3-chlorophenyl)piperazino]carbonyl}-5-(2-thienyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0061
3-[3-{[4-(3-chlorophenyl)piperazino]carbonyl}-5-(2-thienyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

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

D627-0061

Molecular Formula

C22H23ClN4O3S2 (C22 H23 ClN4 O3 S2)

Compound Name

3-[3-{[4-(3-chlorophenyl)piperazino]carbonyl}-5-(2-thienyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-{3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5-(thiophen-2-yl)-1H-pyrazol-1-yl}-1lambda6-thiolane-11-dione

SMILES

O=C(c1nn(C(CC2)CS2(=O)=O)c(-c2cccs2)c1)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C22H23ClN4O3S2/c23-16-3-1-4-17(13-16)25-7-9-26(10-8-25)22(28)19-14-20(21-5-2-11-31-21)27(24-19)18-6-12-32(29,30)15-18/h1-5,11,13-14,18H,6-10,12,15H2/t18-/m0/s1

InChI Key

PQYZYCGIJUQPRW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15142201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.907

Distribution Coefficient, logD

2.907

Water Solubility, LogSw

-3.38

Polar Surface Area

62.259

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with D627-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0061?
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What is the minimum amount of D627-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0061
  • 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 D627-0061 available by request