V008-8121 Screening compound: 2-benzyl-4-{4-[(4-chloro-3-nitrophenyl)sulfonyl]piperazino}-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine

V008-8121 Screening compound: 2-benzyl-4-{4-[(4-chloro-3-nitrophenyl)sulfonyl]piperazino}-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine
V008-8121 Screening compound: 2-benzyl-4-{4-[(4-chloro-3-nitrophenyl)sulfonyl]piperazino}-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-8121
2-benzyl-4-{4-[(4-chloro-3-nitrophenyl)sulfonyl]piperazino}-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[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

V008-8121

Molecular Formula

C28H29ClN6O4S2 (C28 H29 ClN6 O4 S2)

Compound Name

2-benzyl-4-{4-[(4-chloro-3-nitrophenyl)sulfonyl]piperazino}-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine

IUPAC name

5-benzyl-3-[4-(4-chloro-3-nitrobenzenesulfonyl)piperazin-1-yl]-11-ethyl-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

CCN(CC1)Cc2c1c(c(N(CC1)CCN1S(c(cc1)cc([N+]([O-])=O)c1Cl)(=O)=O)nc(Cc1ccccc1)n1)c1s2

InChI

InChI=1S/C28H29ClN6O4S2/c1-2-32-11-10-21-24(18-32)40-28-26(21)27(30-25(31-28)16-19-6-4-3-5-7-19)33-12-14-34(15-13-33)41(38,39)20-8-9-22(29)23(17-20)35(36)37/h3-9,17H,2,10-16,18H2,1H3

InChI Key

ZGAFJVOIZYSQGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19846661

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

613.16

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.001

Distribution Coefficient, logD

5.924

Water Solubility, LogSw

-6.19

Polar Surface Area

92.009

Acid Dissociation Constant (pKa)

22.34

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

V008-8121 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 V008-8121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-8121?
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What is the minimum amount of V008-8121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-8121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-8121
  • 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 V008-8121 available by request