G394-0378 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

G394-0378 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
G394-0378 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G394-0378
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

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

G394-0378

Molecular Formula

C22H31N5OS (C22 H31 N5 OS)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)-5-methylthieno[23-d]pyrimidine-6-carboxamide

SMILES

CCN(CC1)CCN1c1c(c(C)c(C(NCCC2=CCCCC2)=O)s2)c2ncn1

InChI

InChI=1S/C22H31N5OS/c1-3-26-11-13-27(14-12-26)20-18-16(2)19(29-22(18)25-15-24-20)21(28)23-10-9-17-7-5-4-6-8-17/h7,15H,3-6,8-14H2,1-2H3,(H,23,28)

InChI Key

UAACMIRSSYJYOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.837

Distribution Coefficient, logD

3.265

Water Solubility, LogSw

-3.88

Polar Surface Area

52.522

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

G394-0378 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G394-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G394-0378?
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What is the minimum amount of G394-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G394-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G394-0378
  • 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 G394-0378 available by request