6049-1477 Screening compound: 1,4-bis(9H-xanthene-9-carbonyl)-1,4-diazepane

6049-1477 Screening compound: 1,4-bis(9H-xanthene-9-carbonyl)-1,4-diazepane
6049-1477 Screening compound: 1,4-bis(9H-xanthene-9-carbonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-1477
1,4-bis(9H-xanthene-9-carbonyl)-1,4-diazepane

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

6049-1477

Molecular Formula

C33H28N2O4 (C33 H28 N2 O4)

Compound Name

1,4-bis(9H-xanthene-9-carbonyl)-1,4-diazepane

IUPAC name

14-bis(9H-xanthene-9-carbonyl)-14-diazepane

SMILES

O=C(C1c(cccc2)c2Oc2c1cccc2)N(CCC1)CCN1C(C1c(cccc2)c2Oc2c1cccc2)=O

InChI

InChI=1S/C33H28N2O4/c36-32(30-22-10-1-5-14-26(22)38-27-15-6-2-11-23(27)30)34-18-9-19-35(21-20-34)33(37)31-24-12-3-7-16-28(24)39-29-17-8-4-13-25(29)31/h1-8,10-17,30-31H,9,18-21H2

InChI Key

NDMQZSNZKYKPHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01647976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.924

Distribution Coefficient, logD

-0.586

Water Solubility, LogSw

-4.95

Polar Surface Area

47.301

Acid Dissociation Constant (pKa)

1.89

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.20

6049-1477 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6049-1477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1477?
Check Price and Availability of 6049-1477, 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 6049-1477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1477
  • 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 6049-1477 available by request