V013-3733 Screening compound: N~1~-(3,4-difluorophenyl)-4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide

V013-3733 Screening compound: N~1~-(3,4-difluorophenyl)-4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide
V013-3733 Screening compound: N~1~-(3,4-difluorophenyl)-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 V013-3733
N~1~-(3,4-difluorophenyl)-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

V013-3733

Molecular Formula

C23H25F2N5OS (C23 H25 F2 N5 OS)

Compound Name

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

IUPAC name

N-(34-difluorophenyl)-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)cc(F)c2F)=O)c(c(CCCC2)c2s2)c2n1

InChI

InChI=1S/C23H25F2N5OS/c1-2-19-27-21(20-15-5-3-4-6-18(15)32-22(20)28-19)29-9-11-30(12-10-29)23(31)26-14-7-8-16(24)17(25)13-14/h7-8,13H,2-6,9-12H2,1H3,(H,26,31)

InChI Key

OCZMWHDDASSESJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19846042

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

457.55

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

5.687

Distribution Coefficient, logD

5.258

Water Solubility, LogSw

-5.61

Polar Surface Area

49.488

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

V013-3733 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 V013-3733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-3733?
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What is the minimum amount of V013-3733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-3733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-3733
  • 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 V013-3733 available by request