D404-0029 Screening compound: 1-[4-(benzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]-4-(4-nitrobenzoyl)piperazine

D404-0029 Screening compound: 1-[4-(benzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]-4-(4-nitrobenzoyl)piperazine
D404-0029 Screening compound: 1-[4-(benzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]-4-(4-nitrobenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D404-0029
1-[4-(benzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]-4-(4-nitrobenzoyl)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

D404-0029

Molecular Formula

C24H20N4O7S (C24 H20 N4 O7 S)

Compound Name

1-[4-(benzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]-4-(4-nitrobenzoyl)piperazine

IUPAC name

1-[4-(benzenesulfonyl)-2-(furan-2-yl)-13-oxazol-5-yl]-4-(4-nitrobenzoyl)piperazine

SMILES

[O-][N+](c(cc1)ccc1C(N(CC1)CCN1c(oc(-c1ccco1)n1)c1S(c1ccccc1)(=O)=O)=O)=O

InChI

InChI=1S/C24H20N4O7S/c29-23(17-8-10-18(11-9-17)28(30)31)26-12-14-27(15-13-26)24-22(25-21(35-24)20-7-4-16-34-20)36(32,33)19-5-2-1-3-6-19/h1-11,16H,12-15H2

InChI Key

ZGADMTSSIUTLQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.266

Distribution Coefficient, logD

3.266

Water Solubility, LogSw

-3.67

Polar Surface Area

109.895

Acid Dissociation Constant (pKa)

27.36

Base Dissociation Constant (pKb)

-3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D404-0029 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 D404-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D404-0029?
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What is the minimum amount of D404-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D404-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D404-0029
  • 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 D404-0029 available by request