D404-0188 Screening compound: 1-[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]-4-(thiophene-2-carbonyl)piperazine

D404-0188 Screening compound: 1-[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]-4-(thiophene-2-carbonyl)piperazine
D404-0188 Screening compound: 1-[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]-4-(thiophene-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D404-0188
1-[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]-4-(thiophene-2-carbonyl)piperazine

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

D404-0188

Molecular Formula

C23H21N3O4S3 (C23 H21 N3 O4 S3)

Compound Name

1-[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]-4-(thiophene-2-carbonyl)piperazine

IUPAC name

1-[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-13-oxazol-5-yl]-4-(thiophene-2-carbonyl)piperazine

SMILES

Cc(cc1)ccc1S(c1c(N(CC2)CCN2C(c2cccs2)=O)oc(-c2cccs2)n1)(=O)=O

InChI

InChI=1S/C23H21N3O4S3/c1-16-6-8-17(9-7-16)33(28,29)21-23(30-20(24-21)18-4-2-14-31-18)26-12-10-25(11-13-26)22(27)19-5-3-15-32-19/h2-9,14-15H,10-13H2,1H3

InChI Key

GKJCFLLJNNYPEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18181534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.823

Distribution Coefficient, logD

4.823

Water Solubility, LogSw

-4.56

Polar Surface Area

69.972

Acid Dissociation Constant (pKa)

27.44

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D404-0188 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D404-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D404-0188?
Check Price and Availability of D404-0188, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D404-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D404-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D404-0188
  • 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 D404-0188 available by request