8137-0123 Screening compound: 7-(4-tert-butylphenyl)-2-[(4-phenylquinazolin-2-yl)amino]-5,6,7,8-tetrahydroquinazolin-5-one

8137-0123 Screening compound: 7-(4-tert-butylphenyl)-2-[(4-phenylquinazolin-2-yl)amino]-5,6,7,8-tetrahydroquinazolin-5-one
8137-0123 Screening compound: 7-(4-tert-butylphenyl)-2-[(4-phenylquinazolin-2-yl)amino]-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8137-0123
7-(4-tert-butylphenyl)-2-[(4-phenylquinazolin-2-yl)amino]-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

8137-0123

Molecular Formula

C32H29N5O (C32 H29 N5 O)

Compound Name

7-(4-tert-butylphenyl)-2-[(4-phenylquinazolin-2-yl)amino]-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

7-(4-tert-butylphenyl)-2-[(4-phenylquinazolin-2-yl)amino]-5678-tetrahydroquinazolin-5-one

SMILES

CC(C)(C)c1ccc(C(Cc2c3cnc(Nc4nc5ccccc5c(-c5ccccc5)n4)n2)CC3=O)cc1

InChI

InChI=1S/C32H29N5O/c1-32(2,3)23-15-13-20(14-16-23)22-17-27-25(28(38)18-22)19-33-30(35-27)37-31-34-26-12-8-7-11-24(26)29(36-31)21-9-5-4-6-10-21/h4-16,19,22H,17-18H2,1-3H3,(H,33,34,35,36,37)/t22-/m1/s1

InChI Key

ZGRJNXMNHUFRBC-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD05699304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.688

Distribution Coefficient, logD

7.508

Water Solubility, LogSw

-5.91

Polar Surface Area

63.695

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.90

8137-0123 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8137-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8137-0123?
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What is the minimum amount of 8137-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8137-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8137-0123
  • 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 8137-0123 available by request