8010-5974 Screening compound: 12-(4-chlorophenyl)-12H-benzo[5,6]chromeno[2,3-d]pyrimidin-11-amine

8010-5974 Screening compound: 12-(4-chlorophenyl)-12H-benzo[5,6]chromeno[2,3-d]pyrimidin-11-amine
8010-5974 Screening compound: 12-(4-chlorophenyl)-12H-benzo[5,6]chromeno[2,3-d]pyrimidin-11-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5974
12-(4-chlorophenyl)-12H-benzo[5,6]chromeno[2,3-d]pyrimidin-11-amine

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

8010-5974

Molecular Formula

C21H14ClN3O (C21 H14 ClN3 O)

Compound Name

12-(4-chlorophenyl)-12H-benzo[5,6]chromeno[2,3-d]pyrimidin-11-amine

IUPAC name

5-(4-chlorophenyl)-5H-12-oxa-13-diazatetraphen-4-amine

SMILES

Nc1ncnc2c1C(c(cc1)ccc1Cl)c(c1ccccc1cc1)c1O2

InChI

InChI=1S/C21H14ClN3O/c22-14-8-5-13(6-9-14)17-18-15-4-2-1-3-12(15)7-10-16(18)26-21-19(17)20(23)24-11-25-21/h1-11,17H,(H2,23,24,25)/t17-/m0/s1

InChI Key

MTMJIBMGIQTLOE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02110800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.153

Distribution Coefficient, logD

3.785

Water Solubility, LogSw

-6.07

Polar Surface Area

47.935

Acid Dissociation Constant (pKa)

6.05

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.76

8010-5974 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 8010-5974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5974?
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What is the minimum amount of 8010-5974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5974
  • 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 8010-5974 available by request