8017-7366 Screening compound: 2-(1,3-benzoxazol-2-ylamino)-4-(4-chlorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone

8017-7366 Screening compound: 2-(1,3-benzoxazol-2-ylamino)-4-(4-chlorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone
8017-7366 Screening compound: 2-(1,3-benzoxazol-2-ylamino)-4-(4-chlorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7366
2-(1,3-benzoxazol-2-ylamino)-4-(4-chlorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone

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

8017-7366

Molecular Formula

C23H21ClN4O2 (C23 H21 ClN4 O2)

Compound Name

2-(1,3-benzoxazol-2-ylamino)-4-(4-chlorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone

IUPAC name

n/a

SMILES

CC(C)(C1)CC(NC(Nc2nc(cccc3)c3o2)=NC2c(cc3)ccc3Cl)=C2C1=O

InChI

InChI=1S/C23H21ClN4O2/c1-23(2)11-16-19(17(29)12-23)20(13-7-9-14(24)10-8-13)27-21(25-16)28-22-26-15-5-3-4-6-18(15)30-22/h3-10,20H,11-12H2,1-2H3,(H2,25,26,27,28)/t20-/m0/s1

InChI Key

YJFOAGWLAKLLFV-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.325

Distribution Coefficient, logD

4.877

Water Solubility, LogSw

-6.14

Polar Surface Area

63.090

Acid Dissociation Constant (pKa)

7.94

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.09

8017-7366 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-7366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7366?
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What is the minimum amount of 8017-7366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7366
  • 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 8017-7366 available by request