D426-1289 Screening compound: 2-[(9S)-9-[4-(dimethylamino)phenyl]-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]-3-methylbutanoic acid

D426-1289 Screening compound: 2-[(9S)-9-[4-(dimethylamino)phenyl]-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]-3-methylbutanoic acid
D426-1289 Screening compound: 2-[(9S)-9-[4-(dimethylamino)phenyl]-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]-3-methylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D426-1289
2-[(9S)-9-[4-(dimethylamino)phenyl]-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]-3-methylbutanoic 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

D426-1289

Molecular Formula

C26H29N3O5S2 (C26 H29 N3 O5 S2)

Compound Name

2-[(9S)-9-[4-(dimethylamino)phenyl]-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]-3-methylbutanoic acid

IUPAC name

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

SMILES

CC(C)C(C(O)=O)N(C(C(C(C1)C2C3c(cc4)ccc4N(C)C)C4C1C2SC(N1)=C3SC1=O)=O)C4=O

InChI

InChI=1S/C26H29N3O5S2/c1-10(2)19(25(32)33)29-23(30)17-13-9-14(18(17)24(29)31)20-16(13)15(21-22(35-20)27-26(34)36-21)11-5-7-12(8-6-11)28(3)4/h5-8,10,13-20H,9H2,1-4H3,(H,27,34)(H,32,33)/t13?,14?,15-,16?,17?,18?,19?,20?/m1/s1

InChI Key

DOHQHOWTYQATKV-BBTFNWHDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.832

Distribution Coefficient, logD

-1.192

Water Solubility, LogSw

-3.42

Polar Surface Area

83.493

Acid Dissociation Constant (pKa)

3.38

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

53.80

D426-1289 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D426-1289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D426-1289?
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What is the minimum amount of D426-1289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D426-1289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D426-1289
  • 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 D426-1289 available by request