8137-0122 Screening compound: 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one

8137-0122 Screening compound: 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one
8137-0122 Screening compound: 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8137-0122
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one

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

8137-0122

Molecular Formula

C23H21N5O2S (C23 H21 N5 O2 S)

Compound Name

2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-(thiophen-2-yl)-5678-tetrahydroquinazolin-5-one

SMILES

CCOc1ccc2nc(Nc(nc3)nc(CC(C4)c5cccs5)c3C4=O)nc(C)c2c1

InChI

InChI=1S/C23H21N5O2S/c1-3-30-15-6-7-18-16(11-15)13(2)25-23(26-18)28-22-24-12-17-19(27-22)9-14(10-20(17)29)21-5-4-8-31-21/h4-8,11-12,14H,3,9-10H2,1-2H3,(H,24,25,26,27,28)/t14-/m0/s1

InChI Key

CRXOTDMKDPATKC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05691796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.697

Distribution Coefficient, logD

3.437

Water Solubility, LogSw

-4.38

Polar Surface Area

71.915

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

8.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

8137-0122 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8137-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8137-0122?
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What is the minimum amount of 8137-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8137-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8137-0122
  • 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 8137-0122 available by request