8019-8062 Screening compound: butyl 4-[7-(4-heptylphenyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-8-yl]benzoate

8019-8062 Screening compound: butyl 4-[7-(4-heptylphenyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-8-yl]benzoate
8019-8062 Screening compound: butyl 4-[7-(4-heptylphenyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-8-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8062
butyl 4-[7-(4-heptylphenyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-8-yl]benzoate

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

8019-8062

Molecular Formula

C33H39N5O4 (C33 H39 N5 O4)

Compound Name

butyl 4-[7-(4-heptylphenyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-8-yl]benzoate

IUPAC name

butyl 4-[7-(4-heptylphenyl)-13-dimethyl-24-dioxo-1H2H3H4H8H-imidazo[12-g]purin-8-yl]benzoate

SMILES

CCCCCCCc(cc1)ccc1-c(n1-c(cc2)ccc2C(OCCCC)=O)cn2c1nc(N(C)C(N1C)=O)c2C1=O

InChI

InChI=1S/C33H39N5O4/c1-5-7-9-10-11-12-23-13-15-24(16-14-23)27-22-37-28-29(35(3)33(41)36(4)30(28)39)34-32(37)38(27)26-19-17-25(18-20-26)31(40)42-21-8-6-2/h13-20,22H,5-12,21H2,1-4H3

InChI Key

WYAVHENVMNSABE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12033621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

8.649

Distribution Coefficient, logD

8.649

Water Solubility, LogSw

-5.81

Polar Surface Area

64.390

Acid Dissociation Constant (pKa)

26.71

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.40

8019-8062 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8019-8062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8062?
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What is the minimum amount of 8019-8062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8062
  • 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 8019-8062 available by request