8019-4769 Screening compound: 8-({2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]ethyl}sulfanyl)-7-(2-ethylhexyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8019-4769 Screening compound: 8-({2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]ethyl}sulfanyl)-7-(2-ethylhexyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8019-4769 Screening compound: 8-({2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]ethyl}sulfanyl)-7-(2-ethylhexyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4769
8-({2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]ethyl}sulfanyl)-7-(2-ethylhexyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

8019-4769

Molecular Formula

C24H31ClN8O2S (C24 H31 ClN8 O2 S)

Compound Name

8-({2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]ethyl}sulfanyl)-7-(2-ethylhexyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-({2-[5-(4-chlorophenyl)-2H-1234-tetrazol-2-yl]ethyl}sulfanyl)-7-(2-ethylhexyl)-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCCC(CC)Cn1c(SCCn2nnc(-c(cc3)ccc3Cl)n2)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C24H31ClN8O2S/c1-5-7-8-16(6-2)15-32-19-21(30(3)24(35)31(4)22(19)34)26-23(32)36-14-13-33-28-20(27-29-33)17-9-11-18(25)12-10-17/h9-12,16H,5-8,13-15H2,1-4H3/t16-/m0/s1

InChI Key

NGSUPMAKHMBBMQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD10037901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.08

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.315

Distribution Coefficient, logD

6.315

Water Solubility, LogSw

-6.30

Polar Surface Area

81.639

Acid Dissociation Constant (pKa)

24.10

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8019-4769 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 8019-4769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4769?
Check Price and Availability of 8019-4769, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8019-4769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4769
  • 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 8019-4769 available by request