V030-3413 Screening compound: N-{2-[4-[4-(tert-butyl)phenyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-N-isopropylmethanesulfonamide

V030-3413 Screening compound: N-{2-[4-[4-(tert-butyl)phenyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-N-isopropylmethanesulfonamide
V030-3413 Screening compound: N-{2-[4-[4-(tert-butyl)phenyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-N-isopropylmethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3413
N-{2-[4-[4-(tert-butyl)phenyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-N-isopropylmethanesulfonamide

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

V030-3413

Molecular Formula

C23H32N2O3S2 (C23 H32 N2 O3 S2)

Compound Name

N-{2-[4-[4-(tert-butyl)phenyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-N-isopropylmethanesulfonamide

IUPAC name

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

SMILES

CC(C)N(CC(N(CCc1c2ccs1)C2c1ccc(C(C)(C)C)cc1)=O)S(C)(=O)=O

InChI

InChI=1S/C23H32N2O3S2/c1-16(2)25(30(6,27)28)15-21(26)24-13-11-20-19(12-14-29-20)22(24)17-7-9-18(10-8-17)23(3,4)5/h7-10,12,14,16,22H,11,13,15H2,1-6H3/t22-/m1/s1

InChI Key

IOPWHFRKMBKRRQ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD20015361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.169

Distribution Coefficient, logD

5.169

Water Solubility, LogSw

-4.93

Polar Surface Area

48.545

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

-3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.17

References: we are preparing a list of scientific research reports with V030-3413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3413?
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What is the minimum amount of V030-3413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3413
  • 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 V030-3413 available by request