H027-4005B Screening compound:

H027-4005B Screening compound:
H027-4005B Screening compound: alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-4005B

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

H027-4005B

Molecular Formula

C40H55N7O7 (C40 H55 N7 O7)

Compound Name

IUPAC name

methyl N-[(2S)-3-methyl-1-oxo-1-[(2R)-2-{5-[(1r4r)-4-(4-{2-[(2R)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)cyclohexyl]-13-oxazol-2-yl}pyrrolidin-1-yl]butan-2-yl]carbamate

SMILES

CC(C)[C@@H](C(N(CCC1)[C@H]1c1ncc(-c2ccc([C@H](CC3)CC[C@@H]3c3cnc([C@@H](CCC4)N4C([C@H](C(C)C)NC(OC)=O)=O)o3)cc2)[nH]1)=O)NC(OC)=O

InChI

InChI=1S/C40H55N7O7/c1-23(2)33(44-39(50)52-5)37(48)46-19-7-9-30(46)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)32-22-42-36(54-32)31-10-8-20-47(31)38(49)34(24(3)4)45-40(51)53-6/h11-12,15-16,21-24,26,28,30-31,33-34H,7-10,13-14,17-20H2,1-6H3,(H,41,43)(H,44,50)(H,45,51)/t26?,28?,30-,31-,33+,34+/m1/s1

InChI Key

AKUPNBPBMRGBRN-MKMXNCGASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

745.92

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

5.762

Distribution Coefficient, logD

5.738

Water Solubility, LogSw

-5.32

Polar Surface Area

136.215

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

60.00

H027-4005B in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with H027-4005B chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-4005B?
Check Price and Availability of H027-4005B, 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 H027-4005B you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-4005B
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-4005B
  • 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 H027-4005B available by request