D440-0134 Screening compound: 4-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazine-1-carbonyl}-1,2,5-oxadiazol-3-amine

D440-0134 Screening compound: 4-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazine-1-carbonyl}-1,2,5-oxadiazol-3-amine
D440-0134 Screening compound: 4-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazine-1-carbonyl}-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D440-0134
4-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazine-1-carbonyl}-1,2,5-oxadiazol-3-amine

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

D440-0134

Molecular Formula

C11H12ClN5O4S2 (C11 H12 ClN5 O4 S2)

Compound Name

4-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazine-1-carbonyl}-1,2,5-oxadiazol-3-amine

IUPAC name

4-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazine-1-carbonyl}-125-oxadiazol-3-amine

SMILES

Nc1nonc1C(N(CC1)CCN1S(c(s1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C11H12ClN5O4S2/c12-7-1-2-8(22-7)23(19,20)17-5-3-16(4-6-17)11(18)9-10(13)15-21-14-9/h1-2H,3-6H2,(H2,13,15)

InChI Key

YHNNPKDJDORJFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.83

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.184

Distribution Coefficient, logD

1.184

Water Solubility, LogSw

-2.56

Polar Surface Area

106.509

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D440-0134 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D440-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D440-0134?
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What is the minimum amount of D440-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D440-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D440-0134
  • 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 D440-0134 available by request