Y010-0412 Screening compound: 2-[4-(benzyloxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol

Y010-0412 Screening compound: 2-[4-(benzyloxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Y010-0412 Screening compound: 2-[4-(benzyloxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0412
2-[4-(benzyloxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol

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

Y010-0412

Molecular Formula

C23H20N2O2S (C23 H20 N2 O2 S)

Compound Name

2-[4-(benzyloxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol

IUPAC name

5-[4-(benzyloxy)phenyl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-ol

SMILES

Oc1c(c(CCCC2)c2s2)c2nc(-c(cc2)ccc2OCc2ccccc2)n1

InChI

InChI=1S/C23H20N2O2S/c26-22-20-18-8-4-5-9-19(18)28-23(20)25-21(24-22)16-10-12-17(13-11-16)27-14-15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,24,25,26)

InChI Key

LRILKYHLODIIHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06243848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.229

Distribution Coefficient, logD

5.812

Water Solubility, LogSw

-6.21

Polar Surface Area

43.751

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

Y010-0412 in Drug Discovery

Included in Screening Libraries

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 Y010-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0412?
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What is the minimum amount of Y010-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0412
  • 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 Y010-0412 available by request