V012-2367 Screening compound: N~1~-(2,4-dimethylphenyl)-4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide

V012-2367 Screening compound: N~1~-(2,4-dimethylphenyl)-4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide
V012-2367 Screening compound: N~1~-(2,4-dimethylphenyl)-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 V012-2367
N~1~-(2,4-dimethylphenyl)-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

V012-2367

Molecular Formula

C25H31N5OS (C25 H31 N5 OS)

Compound Name

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

IUPAC name

N-(24-dimethylphenyl)-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(Nc2c(C)cc(C)cc2)=O)c(c(CCCC2)c2s2)c2n1

InChI

InChI=1S/C25H31N5OS/c1-4-21-27-23(22-18-7-5-6-8-20(18)32-24(22)28-21)29-11-13-30(14-12-29)25(31)26-19-10-9-16(2)15-17(19)3/h9-10,15H,4-8,11-14H2,1-3H3,(H,26,31)

InChI Key

ABAWSAKSUYPSNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19846035

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

449.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.209

Distribution Coefficient, logD

5.780

Water Solubility, LogSw

-5.58

Polar Surface Area

48.790

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

V012-2367 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V012-2367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-2367?
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What is the minimum amount of V012-2367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-2367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-2367
  • 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 V012-2367 available by request