V030-3455 Screening compound: N,N-dimethyl-N-(4-{7-methyl-4-[4-(phenylsulfonyl)piperazino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl}phenyl)amine

V030-3455 Screening compound: N,N-dimethyl-N-(4-{7-methyl-4-[4-(phenylsulfonyl)piperazino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl}phenyl)amine
V030-3455 Screening compound: N,N-dimethyl-N-(4-{7-methyl-4-[4-(phenylsulfonyl)piperazino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl}phenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3455
N,N-dimethyl-N-(4-{7-methyl-4-[4-(phenylsulfonyl)piperazino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl}phenyl)amine

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

V030-3455

Molecular Formula

C29H33N5O2S2 (C29 H33 N5 O2 S2)

Compound Name

N,N-dimethyl-N-(4-{7-methyl-4-[4-(phenylsulfonyl)piperazino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl}phenyl)amine

IUPAC name

4-{3-[4-(benzenesulfonyl)piperazin-1-yl]-11-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-5-yl}-NN-dimethylaniline

SMILES

CC(CC1)Cc2c1c(c(N(CC1)CCN1S(c1ccccc1)(=O)=O)nc(-c(cc1)ccc1N(C)C)n1)c1s2

InChI

InChI=1S/C29H33N5O2S2/c1-20-9-14-24-25(19-20)37-29-26(24)28(30-27(31-29)21-10-12-22(13-11-21)32(2)3)33-15-17-34(18-16-33)38(35,36)23-7-5-4-6-8-23/h4-8,10-13,20H,9,14-19H2,1-3H3/t20-/m1/s1

InChI Key

AGQYNIQCGXUUDI-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19846535

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

547.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.256

Distribution Coefficient, logD

7.097

Water Solubility, LogSw

-6.18

Polar Surface Area

57.272

Acid Dissociation Constant (pKa)

22.34

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

References: we are preparing a list of scientific research reports with V030-3455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3455?
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What is the minimum amount of V030-3455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3455
  • 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 V030-3455 available by request