V001-6785 Screening compound: N~1~-(2-ethoxyphenyl)-4-(7-methyl-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide

V001-6785 Screening compound: N~1~-(2-ethoxyphenyl)-4-(7-methyl-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide
V001-6785 Screening compound: N~1~-(2-ethoxyphenyl)-4-(7-methyl-2-propyl-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 V001-6785
N~1~-(2-ethoxyphenyl)-4-(7-methyl-2-propyl-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

V001-6785

Molecular Formula

C27H35N5O2S (C27 H35 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCc1nc(N(CC2)CCN2C(Nc(cccc2)c2OCC)=O)c(c(CCC(C)C2)c2s2)c2n1

InChI

InChI=1S/C27H35N5O2S/c1-4-8-23-29-25(24-19-12-11-18(3)17-22(19)35-26(24)30-23)31-13-15-32(16-14-31)27(33)28-20-9-6-7-10-21(20)34-5-2/h6-7,9-10,18H,4-5,8,11-17H2,1-3H3,(H,28,33)/t18-/m1/s1

InChI Key

YKWVXEXUDIXCSR-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19846172

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

493.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.933

Distribution Coefficient, logD

6.575

Water Solubility, LogSw

-5.97

Polar Surface Area

56.000

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

7.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.90

V001-6785 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V001-6785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-6785?
Check Price and Availability of V001-6785, 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 V001-6785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-6785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-6785
  • 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 V001-6785 available by request