V015-7486 Screening compound: 2-benzyl-4-{4-[(4-bromophenyl)sulfonyl]piperazino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

V015-7486 Screening compound: 2-benzyl-4-{4-[(4-bromophenyl)sulfonyl]piperazino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
V015-7486 Screening compound: 2-benzyl-4-{4-[(4-bromophenyl)sulfonyl]piperazino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-7486
2-benzyl-4-{4-[(4-bromophenyl)sulfonyl]piperazino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

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

V015-7486

Molecular Formula

C27H27BrN4O2S2 (C27 H27 BrN4 O2 S2)

Compound Name

2-benzyl-4-{4-[(4-bromophenyl)sulfonyl]piperazino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

IUPAC name

5-benzyl-3-[4-(4-bromobenzenesulfonyl)piperazin-1-yl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

O=S(c(cc1)ccc1Br)(N(CC1)CCN1c1nc(Cc2ccccc2)nc2c1c(CCCC1)c1s2)=O

InChI

InChI=1S/C27H27BrN4O2S2/c28-20-10-12-21(13-11-20)36(33,34)32-16-14-31(15-17-32)26-25-22-8-4-5-9-23(22)35-27(25)30-24(29-26)18-19-6-2-1-3-7-19/h1-3,6-7,10-13H,4-5,8-9,14-18H2

InChI Key

APROHBIEURBXIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19846457

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

583.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.165

Distribution Coefficient, logD

7.043

Water Solubility, LogSw

-6.35

Polar Surface Area

55.458

Acid Dissociation Constant (pKa)

22.34

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V015-7486 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 V015-7486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-7486?
Check Price and Availability of V015-7486, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V015-7486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-7486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-7486
  • 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 V015-7486 available by request