T599-1562 Screening compound: 1-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}-3-methylbutan-1-one

T599-1562 Screening compound: 1-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}-3-methylbutan-1-one
T599-1562 Screening compound: 1-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}-3-methylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T599-1562
1-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}-3-methylbutan-1-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

T599-1562

Molecular Formula

C22H26N2O3 (C22 H26 N2 O3)

Compound Name

1-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}-3-methylbutan-1-one

IUPAC name

1-{5-[(2H-13-benzodioxol-5-yl)methyl]-2345-tetrahydro-1H-15-benzodiazepin-1-yl}-3-methylbutan-1-one

SMILES

CC(C)CC(N1c(cccc2)c2N(Cc(cc2)cc3c2OCO3)CCC1)=O

InChI

InChI=1S/C22H26N2O3/c1-16(2)12-22(25)24-11-5-10-23(18-6-3-4-7-19(18)24)14-17-8-9-20-21(13-17)27-15-26-20/h3-4,6-9,13,16H,5,10-12,14-15H2,1-2H3

InChI Key

RSBYKKJPIJWVLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28999346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.257

Distribution Coefficient, logD

4.257

Water Solubility, LogSw

-4.22

Polar Surface Area

35.384

Acid Dissociation Constant (pKa)

23.23

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

T599-1562 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T599-1562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T599-1562?
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What is the minimum amount of T599-1562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T599-1562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T599-1562
  • 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 T599-1562 available by request