D426-1078 Screening compound: 3-[(9S)-9-(2-furyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-en-14-yl]propanoic acid

D426-1078 Screening compound: 3-[(9S)-9-(2-furyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-en-14-yl]propanoic acid
D426-1078 Screening compound: 3-[(9S)-9-(2-furyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-en-14-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D426-1078
3-[(9S)-9-(2-furyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-en-14-yl]propanoic acid

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

D426-1078

Molecular Formula

C20H18N2O6S2 (C20 H18 N2 O6 S2)

Compound Name

3-[(9S)-9-(2-furyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-en-14-yl]propanoic acid

IUPAC name

3-[(9S)-9-(furan-2-yl)-61315-trioxo-37-dithia-514-diazapentacyclo[9.5.1.0^{210}.0^{48}.0^{1216}]heptadec-4(8)-en-14-yl]propanoic acid

SMILES

OC(CCN(C(C(C(C1)C2C3c4ccco4)C4C1C2SC(N1)=C3SC1=O)=O)C4=O)=O

InChI

InChI=1S/C20H18N2O6S2/c23-10(24)3-4-22-18(25)12-7-6-8(13(12)19(22)26)15-11(7)14(9-2-1-5-28-9)16-17(29-15)21-20(27)30-16/h1-2,5,7-8,11-15H,3-4,6H2,(H,21,27)(H,23,24)/t7?,8?,11?,12?,13?,14-,15?/m0/s1

InChI Key

IOYLOAKNPVOCST-KLLQNBIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.693

Distribution Coefficient, logD

-1.840

Water Solubility, LogSw

-2.02

Polar Surface Area

90.260

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with D426-1078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D426-1078?
Check Price and Availability of D426-1078, 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 D426-1078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D426-1078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D426-1078
  • 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 D426-1078 available by request