V021-8240 Screening compound: N~1~-(4-cyanophenyl)-4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide

V021-8240 Screening compound: N~1~-(4-cyanophenyl)-4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide
V021-8240 Screening compound: N~1~-(4-cyanophenyl)-4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-8240
N~1~-(4-cyanophenyl)-4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide

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

V021-8240

Molecular Formula

C24H26N6OS (C24 H26 N6 OS)

Compound Name

N~1~-(4-cyanophenyl)-4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

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

SMILES

CCc1nc(N(CC2)CCN2C(Nc(cc2)ccc2C#N)=O)c(c(CCCC2)c2s2)c2n1

InChI

InChI=1S/C24H26N6OS/c1-2-20-27-22(21-18-5-3-4-6-19(18)32-23(21)28-20)29-11-13-30(14-12-29)24(31)26-17-9-7-16(15-25)8-10-17/h7-10H,2-6,11-14H2,1H3,(H,26,31)

InChI Key

BKCKBLLERMDMEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19846040

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

446.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.985

Distribution Coefficient, logD

4.556

Water Solubility, LogSw

-4.78

Polar Surface Area

66.544

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

V021-8240 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with V021-8240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-8240?
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What is the minimum amount of V021-8240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-8240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-8240
  • 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 V021-8240 available by request