T408-0914 Screening compound: N5-ethyl-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

T408-0914 Screening compound: N5-ethyl-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
T408-0914 Screening compound: N5-ethyl-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-0914
N5-ethyl-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

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

T408-0914

Molecular Formula

C14H20N2O2S (C14 H20 N2 O2 S)

Compound Name

N5-ethyl-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

IUPAC name

N5-ethyl-N2N2-dimethyl-4567-tetrahydro-1-benzothiophene-25-dicarboxamide

SMILES

CCNC(C(CC1)Cc2c1sc(C(N(C)C)=O)c2)=O

InChI

InChI=1S/C14H20N2O2S/c1-4-15-13(17)9-5-6-11-10(7-9)8-12(19-11)14(18)16(2)3/h8-9H,4-7H2,1-3H3,(H,15,17)/t9-/m1/s1

InChI Key

NYHRIMJYLBMVSN-SECBINFHSA-N

MDL Number (MFCD)

MFCD27620201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.277

Distribution Coefficient, logD

1.277

Water Solubility, LogSw

-2.23

Polar Surface Area

41.489

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

T408-0914 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T408-0914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-0914?
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What is the minimum amount of T408-0914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-0914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-0914
  • 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 T408-0914 available by request