D008-0252 Screening compound: 9-(4-hydroxy-3-methoxyphenyl)-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-one

D008-0252 Screening compound: 9-(4-hydroxy-3-methoxyphenyl)-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-one
D008-0252 Screening compound: 9-(4-hydroxy-3-methoxyphenyl)-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D008-0252
9-(4-hydroxy-3-methoxyphenyl)-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-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

D008-0252

Molecular Formula

C18H19NO3S2 (C18 H19 NO3 S2)

Compound Name

9-(4-hydroxy-3-methoxyphenyl)-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-one

IUPAC name

9-(4-hydroxy-3-methoxyphenyl)-37-dithia-5-azatetracyclo[9.2.1.0^{210}.0^{48}]tetradec-4(8)-en-6-one

SMILES

COc(cc(C1C(SC(N2)=O)=C2SC2C1C1CC2CC1)cc1)c1O

InChI

InChI=1S/C18H19NO3S2/c1-22-12-7-9(4-5-11(12)20)14-13-8-2-3-10(6-8)15(13)23-17-16(14)24-18(21)19-17/h4-5,7-8,10,13-15,20H,2-3,6H2,1H3,(H,19,21)

InChI Key

KNUWZJNVRUBDEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04088704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.841

Distribution Coefficient, logD

3.840

Water Solubility, LogSw

-3.59

Polar Surface Area

47.974

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-13.86

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

50.00

D008-0252 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D008-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D008-0252?
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What is the minimum amount of D008-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D008-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D008-0252
  • 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 D008-0252 available by request