D390-1334 Screening compound: N-(4-{[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)-3-methylbenzamide

D390-1334 Screening compound: N-(4-{[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)-3-methylbenzamide
D390-1334 Screening compound: N-(4-{[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D390-1334
N-(4-{[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)-3-methylbenzamide

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

D390-1334

Molecular Formula

C26H25N3O3S2 (C26 H25 N3 O3 S2)

Compound Name

N-(4-{[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)-3-methylbenzamide

IUPAC name

N-(4-{[4-(13-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)-3-methylbenzamide

SMILES

Cc1cccc(C(Nc(cc2)ccc2S(N(CC2)CCC2c2nc(cccc3)c3s2)(=O)=O)=O)c1

InChI

InChI=1S/C26H25N3O3S2/c1-18-5-4-6-20(17-18)25(30)27-21-9-11-22(12-10-21)34(31,32)29-15-13-19(14-16-29)26-28-23-7-2-3-8-24(23)33-26/h2-12,17,19H,13-16H2,1H3,(H,27,30)

InChI Key

DXTCUEHJVRKAGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12915749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.440

Distribution Coefficient, logD

5.380

Water Solubility, LogSw

-5.36

Polar Surface Area

64.489

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D390-1334 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 D390-1334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D390-1334?
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What is the minimum amount of D390-1334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D390-1334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D390-1334
  • 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 D390-1334 available by request