D103-1345 Screening compound: N~2~-[4-(tert-butyl)benzyl]-6-chloro-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-oxo-4H-chromene-2-carboxamide

D103-1345 Screening compound: N~2~-[4-(tert-butyl)benzyl]-6-chloro-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-oxo-4H-chromene-2-carboxamide
D103-1345 Screening compound: N~2~-[4-(tert-butyl)benzyl]-6-chloro-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-1345
N~2~-[4-(tert-butyl)benzyl]-6-chloro-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-oxo-4H-chromene-2-carboxamide

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

D103-1345

Molecular Formula

C25H26ClNO5S (C25 H26 ClNO5 S)

Compound Name

N~2~-[4-(tert-butyl)benzyl]-6-chloro-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-oxo-4H-chromene-2-carboxamide

IUPAC name

N-[(4-tert-butylphenyl)methyl]-6-chloro-N-(11-dioxo-1lambda6-thiolan-3-yl)-4-oxo-4H-chromene-2-carboxamide

SMILES

CC(C)(C)c1ccc(CN(C(CC2)CS2(=O)=O)C(C(Oc(cc2)c3cc2Cl)=CC3=O)=O)cc1

InChI

InChI=1S/C25H26ClNO5S/c1-25(2,3)17-6-4-16(5-7-17)14-27(19-10-11-33(30,31)15-19)24(29)23-13-21(28)20-12-18(26)8-9-22(20)32-23/h4-9,12-13,19H,10-11,14-15H2,1-3H3/t19-/m0/s1

InChI Key

WABFEBVMSSLPFU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD07426773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.565

Distribution Coefficient, logD

4.565

Water Solubility, LogSw

-4.73

Polar Surface Area

65.678

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

D103-1345 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 D103-1345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-1345?
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What is the minimum amount of D103-1345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-1345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-1345
  • 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 D103-1345 available by request