1522-0115 Screening compound: 5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 4-butoxybenzoate

1522-0115 Screening compound: 5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 4-butoxybenzoate
1522-0115 Screening compound: 5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 4-butoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1522-0115
5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 4-butoxybenzoate

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

1522-0115

Molecular Formula

C38H58Br2O3 (C38 H58 Br2 O3)

Compound Name

5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 4-butoxybenzoate

IUPAC name

55a-dibromo-9a11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 4-butoxybenzoate

SMILES

CCCCOc(cc1)ccc1C(OC(CCC1(C)C(CC2)C(CC3Br)C(CC4)C2(C)C4C(C)CCCC(C)C)CC13Br)=O

InChI

InChI=1S/C38H58Br2O3/c1-7-8-22-42-28-14-12-27(13-15-28)35(41)43-29-18-21-37(6)33-19-20-36(5)31(26(4)11-9-10-25(2)3)16-17-32(36)30(33)23-34(39)38(37,40)24-29/h12-15,25-26,29-34H,7-11,16-24H2,1-6H3

InChI Key

JLDCYPYVMUNTNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

722.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

11.674

Distribution Coefficient, logD

11.674

Water Solubility, LogSw

-5.91

Polar Surface Area

27.868

Acid Dissociation Constant (pKa)

25.97

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

10.00

Percent sp3 carbon bonding

81.60

1522-0115 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 1522-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1522-0115?
Check Price and Availability of 1522-0115, 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 1522-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1522-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1522-0115
  • 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 1522-0115 available by request