D470-1651 Screening compound: (3S,4R)-3-[(4-chlorobenzyl)amino]-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1651 Screening compound: (3S,4R)-3-[(4-chlorobenzyl)amino]-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1651 Screening compound: (3S,4R)-3-[(4-chlorobenzyl)amino]-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1651
(3S,4R)-3-[(4-chlorobenzyl)amino]-4-(2-thienylsulfonyl)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

D470-1651

Molecular Formula

C15H16ClNO4S3 (C15 H16 ClNO4 S3)

Compound Name

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

IUPAC name

(3S4R)-3-{[(4-chlorophenyl)methyl]amino}-4-(thiophene-2-sulfonyl)-1lambda6-thiolane-11-dione

SMILES

O=S([C@@H](CS(C1)(=O)=O)[C@H]1NCc(cc1)ccc1Cl)(c1cccs1)=O

InChI

InChI=1S/C15H16ClNO4S3/c16-12-5-3-11(4-6-12)8-17-13-9-23(18,19)10-14(13)24(20,21)15-2-1-7-22-15/h1-7,13-14,17H,8-10H2/t13-,14-/m0/s1

InChI Key

BWVWCRGGMYDACF-KBPBESRZSA-N

MDL Number (MFCD)

MFCD10088973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.207

Distribution Coefficient, logD

1.207

Water Solubility, LogSw

-2.41

Polar Surface Area

70.867

Acid Dissociation Constant (pKa)

18.72

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

D470-1651 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D470-1651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1651?
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What is the minimum amount of D470-1651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1651
  • 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 D470-1651 available by request