D404-0335 Screening compound: 1-{4-[4-(4-chlorobenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl}propan-1-one

D404-0335 Screening compound: 1-{4-[4-(4-chlorobenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl}propan-1-one
D404-0335 Screening compound: 1-{4-[4-(4-chlorobenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D404-0335
1-{4-[4-(4-chlorobenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl}propan-1-one

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

D404-0335

Molecular Formula

C20H20ClN3O4S2 (C20 H20 ClN3 O4 S2)

Compound Name

1-{4-[4-(4-chlorobenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl}propan-1-one

IUPAC name

1-{4-[4-(4-chlorobenzenesulfonyl)-2-(thiophen-2-yl)-13-oxazol-5-yl]piperazin-1-yl}propan-1-one

SMILES

CCC(N(CC1)CCN1c(oc(-c1cccs1)n1)c1S(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C20H20ClN3O4S2/c1-2-17(25)23-9-11-24(12-10-23)20-19(22-18(28-20)16-4-3-13-29-16)30(26,27)15-7-5-14(21)6-8-15/h3-8,13H,2,9-12H2,1H3

InChI Key

HRYWYLADIQYCMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.98

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

4.070

Distribution Coefficient, logD

4.070

Water Solubility, LogSw

-4.38

Polar Surface Area

68.697

Acid Dissociation Constant (pKa)

24.10

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D404-0335 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 D404-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D404-0335?
Check Price and Availability of D404-0335, 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 D404-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D404-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D404-0335
  • 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 D404-0335 available by request