D464-0303 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetamide

D464-0303 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetamide
D464-0303 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D464-0303
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetamide

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

D464-0303

Molecular Formula

C17H14N2O3S2 (C17 H14 N2 O3 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[4-(thiophen-2-yl)-13-thiazol-5-yl]acetamide

SMILES

O=C(Cc1c(-c2cccs2)ncs1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C17H14N2O3S2/c20-16(7-15-17(19-9-24-15)14-2-1-5-23-14)18-8-11-3-4-12-13(6-11)22-10-21-12/h1-6,9H,7-8,10H2,(H,18,20)

InChI Key

KHEZWRRGVRUMMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10088614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.319

Distribution Coefficient, logD

3.319

Water Solubility, LogSw

-3.51

Polar Surface Area

52.699

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D464-0303 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D464-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D464-0303?
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What is the minimum amount of D464-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D464-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D464-0303
  • 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 D464-0303 available by request