V008-8492 Screening compound: N-{2-[4-(4-tert-butylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl}-3,4-dichloro-N-propylbenzamide

V008-8492 Screening compound: N-{2-[4-(4-tert-butylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl}-3,4-dichloro-N-propylbenzamide
V008-8492 Screening compound: N-{2-[4-(4-tert-butylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl}-3,4-dichloro-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-8492
N-{2-[4-(4-tert-butylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl}-3,4-dichloro-N-propylbenzamide

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

V008-8492

Molecular Formula

C29H32Cl2N2O2S (C29 H32 Cl2 N2 O2 S)

Compound Name

N-{2-[4-(4-tert-butylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl}-3,4-dichloro-N-propylbenzamide

IUPAC name

N-{2-[4-(4-tert-butylphenyl)-4H5H6H7H-thieno[32-c]pyridin-5-yl]-2-oxoethyl}-34-dichloro-N-propylbenzamide

SMILES

CCCN(CC(N(CCc1c2ccs1)C2c1ccc(C(C)(C)C)cc1)=O)C(c(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C29H32Cl2N2O2S/c1-5-14-32(28(35)20-8-11-23(30)24(31)17-20)18-26(34)33-15-12-25-22(13-16-36-25)27(33)19-6-9-21(10-7-19)29(2,3)4/h6-11,13,16-17,27H,5,12,14-15,18H2,1-4H3/t27-/m1/s1

InChI Key

KIRKNKJXNMRVQP-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19744053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.795

Distribution Coefficient, logD

7.795

Water Solubility, LogSw

-6.58

Polar Surface Area

32.813

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

References: we are preparing a list of scientific research reports with V008-8492 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V008-8492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-8492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-8492
  • 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 V008-8492 available by request