V008-3386 Screening compound: 4-methyl-N~1~-{[4-(7-methyl-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]carbonyl}-1-benzenesulfonamide

V008-3386 Screening compound: 4-methyl-N~1~-{[4-(7-methyl-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]carbonyl}-1-benzenesulfonamide
V008-3386 Screening compound: 4-methyl-N~1~-{[4-(7-methyl-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]carbonyl}-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3386
4-methyl-N~1~-{[4-(7-methyl-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]carbonyl}-1-benzenesulfonamide

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

V008-3386

Molecular Formula

C26H33N5O3S2 (C26 H33 N5 O3 S2)

Compound Name

4-methyl-N~1~-{[4-(7-methyl-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]carbonyl}-1-benzenesulfonamide

IUPAC name

4-{11-methyl-5-propyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}-N-(4-methylbenzenesulfonyl)piperazine-1-carboxamide

SMILES

CCCc1nc(sc2c3CCC(C)C2)c3c(N(CC2)CCN2C(NS(c2ccc(C)cc2)(=O)=O)=O)n1

InChI

InChI=1S/C26H33N5O3S2/c1-4-5-22-27-24(23-20-11-8-18(3)16-21(20)35-25(23)28-22)30-12-14-31(15-13-30)26(32)29-36(33,34)19-9-6-17(2)7-10-19/h6-7,9-10,18H,4-5,8,11-16H2,1-3H3,(H,29,32)/t18-/m1/s1

InChI Key

ODYCSNGTPZERSD-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19972789

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

527.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.041

Distribution Coefficient, logD

6.041

Water Solubility, LogSw

-5.70

Polar Surface Area

81.225

Acid Dissociation Constant (pKa)

5.31

Base Dissociation Constant (pKb)

7.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V008-3386 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V008-3386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3386?
Check Price and Availability of V008-3386, 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 V008-3386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3386
  • 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 V008-3386 available by request