D470-1914 Screening compound: (3R,4S)-3-[(4-fluorophenyl)sulfonyl]-4-[(2-furylmethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1914 Screening compound: (3R,4S)-3-[(4-fluorophenyl)sulfonyl]-4-[(2-furylmethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1914 Screening compound: (3R,4S)-3-[(4-fluorophenyl)sulfonyl]-4-[(2-furylmethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1914
(3R,4S)-3-[(4-fluorophenyl)sulfonyl]-4-[(2-furylmethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

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

D470-1914

Molecular Formula

C15H16FNO5S2 (C15 H16 FNO5 S2)

Compound Name

(3R,4S)-3-[(4-fluorophenyl)sulfonyl]-4-[(2-furylmethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

(3R4S)-3-(4-fluorobenzenesulfonyl)-4-{[(furan-2-yl)methyl]amino}-1lambda6-thiolane-11-dione

SMILES

O=S([C@@H](CS(C1)(=O)=O)[C@H]1NCc1ccco1)(c(cc1)ccc1F)=O

InChI

InChI=1S/C15H16FNO5S2/c16-11-3-5-13(6-4-11)24(20,21)15-10-23(18,19)9-14(15)17-8-12-2-1-7-22-12/h1-7,14-15,17H,8-10H2/t14-,15-/m1/s1

InChI Key

MBBRAHUTEQPSBO-HUUCEWRRSA-N

MDL Number (MFCD)

MFCD10089057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.664

Distribution Coefficient, logD

0.664

Water Solubility, LogSw

-1.94

Polar Surface Area

77.597

Acid Dissociation Constant (pKa)

18.56

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

D470-1914 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 D470-1914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1914?
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What is the minimum amount of D470-1914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1914
  • 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 D470-1914 available by request